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Organoheterocyclic compounds

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1 – 15 of 184 results
1

Azure I

CAS: 531-55-5 Molecular Formula: C15H16ClN3S Molecular Weight (g/mol): 305.824 MDL Number: MFCD00011935 InChI Key: DNDJEIWCTMMZBX-UHFFFAOYSA-N Synonym: azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech PubChem CID: 68275 IUPAC Name: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride SMILES: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]

PubChem CID 68275
CAS 531-55-5
Molecular Weight (g/mol) 305.824
MDL Number MFCD00011935
SMILES CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
Synonym azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech
IUPAC Name dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride
InChI Key DNDJEIWCTMMZBX-UHFFFAOYSA-N
Molecular Formula C15H16ClN3S
2

Angiotensin I (human)

CAS: 484-42-4 Molecular Formula: C62H89N17O14 Molecular Weight (g/mol): 1296.50 MDL Number: MFCD00133091 InChI Key: ORWYRWWVDCYOMK-HBZPZAIKSA-N Synonym: angiotensin i,human angiotensin i,angiotensin i human,5-ile-angiotensin i,angiotensin i rat,angiotensin i mouse,angiotensin 1 human,angiotensin i human, mouse, rat,pepsitensin,ile5-angiotensin i PubChem CID: 3081372 ChEBI: CHEBI:2718 IUPAC Name: (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(O)=O

PubChem CID 3081372
CAS 484-42-4
Molecular Weight (g/mol) 1296.50
ChEBI CHEBI:2718
MDL Number MFCD00133091
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(O)=O
Synonym angiotensin i,human angiotensin i,angiotensin i human,5-ile-angiotensin i,angiotensin i rat,angiotensin i mouse,angiotensin 1 human,angiotensin i human, mouse, rat,pepsitensin,ile5-angiotensin i
IUPAC Name (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid
InChI Key ORWYRWWVDCYOMK-HBZPZAIKSA-N
Molecular Formula C62H89N17O14
3

1,2-Bis((2S,5S)-2,5-diethylphospholano)benzene(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%

CAS: 213343-64-7 Molecular Formula: C30H48BF4P2Rh Molecular Weight (g/mol): 660.37 MDL Number: MFCD01862465 InChI Key: DSYBEQKPSKLNMC-RTXTXWNLNA-N Synonym: s,s-et-duphos-rh,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene cyclooctadiene rhodium i tetrafluoroborate,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene cyclooctadiene rhodium l tetrafluoroborate PubChem CID: 11006841 SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@H]1CC[C@H](CC)P1C1=C(C=CC=C1)P1[C@@H](CC)CC[C@@H]1CC

PubChem CID 11006841
CAS 213343-64-7
Molecular Weight (g/mol) 660.37
MDL Number MFCD01862465
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@H]1CC[C@H](CC)P1C1=C(C=CC=C1)P1[C@@H](CC)CC[C@@H]1CC
Synonym s,s-et-duphos-rh,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene cyclooctadiene rhodium i tetrafluoroborate,+-1,2-bis 2s,5s-2,5-diethylphospholano benzene cyclooctadiene rhodium l tetrafluoroborate
InChI Key DSYBEQKPSKLNMC-RTXTXWNLNA-N
Molecular Formula C30H48BF4P2Rh
4

1,2-Bis((2S,5S)-2,5-dimethylphospholano)ethane(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific Chemicals

CAS: 213343-65-8 Molecular Formula: C22H40BF4P2Rh Molecular Weight (g/mol): 556.22 MDL Number: MFCD09038435 InChI Key: CVUPEPGZCZHSOF-BDNLEJQTNA-N Synonym: 1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,s,s-me-bpe-rh,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene-rhodium i tetrafluoroborate PubChem CID: 12964417 SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C

PubChem CID 12964417
CAS 213343-65-8
Molecular Weight (g/mol) 556.22
MDL Number MFCD09038435
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C
Synonym 1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene rhodium i tetrafluoroborate,s,s-me-bpe-rh,--1,2-bis 2s,5s-2,5-dimethylphospholano ethane cyclooctadiene-rhodium i tetrafluoroborate
InChI Key CVUPEPGZCZHSOF-BDNLEJQTNA-N
Molecular Formula C22H40BF4P2Rh
5

1,2-Bis((2R,5R)-2,5-diisopropylphospholano)benzene(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific™

CAS: 569650-64-2 Molecular Formula: C34H56BF4P2Rh Molecular Weight (g/mol): 716.48 MDL Number: MFCD07369039 InChI Key: AXLKBYDAACXFBH-KFORCWLUNA-N Synonym: 1,2-bis 2r,5r-2,5-diisopropylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate,r,r-i-pr-duphos-rh,+-1,2-bis 2r,5r-2,5-di-i-propylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate PubChem CID: 12964416 IUPAC Name: λ¹-rhodium(1+) (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-bis(propan-2-yl)phospholan-1-yl]phenyl}-2,5-bis(propan-2-yl)phospholane tetrafluoroboranuide SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1=CC=CC=C1P1[C@@H](CC[C@H]1C(C)C)C(C)C

PubChem CID 12964416
CAS 569650-64-2
Molecular Weight (g/mol) 716.48
MDL Number MFCD07369039
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1=CC=CC=C1P1[C@@H](CC[C@H]1C(C)C)C(C)C
Synonym 1,2-bis 2r,5r-2,5-diisopropylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate,r,r-i-pr-duphos-rh,+-1,2-bis 2r,5r-2,5-di-i-propylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate
IUPAC Name λ¹-rhodium(1+) (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-bis(propan-2-yl)phospholan-1-yl]phenyl}-2,5-bis(propan-2-yl)phospholane tetrafluoroboranuide
InChI Key AXLKBYDAACXFBH-KFORCWLUNA-N
Molecular Formula C34H56BF4P2Rh
6

1,2-Bis((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific Chemicals

CAS: 228121-39-9 Molecular Formula: C30H48BF4P2Rh Molecular Weight (g/mol): 660.37 MDL Number: MFCD01862464 InChI Key: DSYBEQKPSKLNMC-RTXTXWNLNA-N PubChem CID: 11549211 IUPAC Name: cyclooctane;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@@H]1CC[C@@H](CC)P1C1=C(C=CC=C1)P1[C@H](CC)CC[C@H]1CC

PubChem CID 11549211
CAS 228121-39-9
Molecular Weight (g/mol) 660.37
MDL Number MFCD01862464
SMILES [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC[C@@H]1CC[C@@H](CC)P1C1=C(C=CC=C1)P1[C@H](CC)CC[C@H]1CC
IUPAC Name cyclooctane;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
InChI Key DSYBEQKPSKLNMC-RTXTXWNLNA-N
Molecular Formula C30H48BF4P2Rh
7

Coproporphyrin I-15N4, TRC

Molecular Formula: C36H3815N4O8 Molecular Weight (g/mol): 658.68 Synonym: 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic -15N4 Acid,3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic-15N4 Acid,NSC 267073-15N4 IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid SMILES: CC(C(/C=C(C(CCC(O)=O)=C/1C)\[15NH]C1=C/2)=[15N]/3)=C(CCC(O)=O)C3=C\C4=C(C)C(CCC(O)=O)=C(/C=C5C(C)=C(CCC(O)=O)C2=[15N]/5)[15NH]4

Molecular Weight (g/mol) 658.68
SMILES CC(C(/C=C(C(CCC(O)=O)=C/1C)\[15NH]C1=C/2)=[15N]/3)=C(CCC(O)=O)C3=C\C4=C(C)C(CCC(O)=O)=C(/C=C5C(C)=C(CCC(O)=O)C2=[15N]/5)[15NH]4
Synonym 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic -15N4 Acid,3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic-15N4 Acid,NSC 267073-15N4
IUPAC Name 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
Molecular Formula C36H3815N4O8
8

Bisindolylmaleimide I, MedChemExpress

MedChemExpress Bisindolylmaleimide I (GF109203X) is a highly selective, cell-permeable, and reversible protein kinase C (PKC) inhibitor with a Ki of 14 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 412.48
Color Red
Physical Form Solid
Chemical Name or Material Bisindolylmaleimide I
Grade Research
SMILES O=C(C(C1=CN(CCCN(C)C)C2=C1C=CC=C2)=C3C4=CNC5=C4C=CC=C5)NC3=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.03%
CAS 133052-90-1
Solubility Information DMSO : ≥ 32 mg/mL (77.58 mM)
Health Hazard 1 H351
Synonym GF109203X Go 6850
Purity Grade Notes Research
Recommended Storage 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Shelf Life 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Molecular Formula C25H24N4O2
Formula Weight 412.48
9

Astragaloside I, MedChemExpress

MedChemExpress Astragaloside I, one of the main active ingredients in Astragalus membranaceus, has osteogenic properties. Astragaloside I stimulates osteoblast differentiation through the Wnt/β-catenin signaling pathway.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 869.04
Color White
Physical Form Solid
Chemical Name or Material Astragaloside I
Grade Research
SMILES O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]([H])(O[C@@H]2C(C)(C)[C@@]([C@@H](O[C@@]3([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]4([H])[C@@]56CC[C@@]7(C)[C@@]4(C)C[C@H](O)[C@]7([H])[C@]8(C)O[C@H](C(C)(O)C)CC8)([H])[C@]5(C6)CC2)OC1
Percent Purity 98.0%
CAS 84680-75-1
Solubility Information DMSO : 50 mg/mL (57.53 mM; Need ultrasonic)
Synonym Astrasieversianin IV Cyclosieversioside B
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C45H72O16
Formula Weight 869.04
10

I-BET282, MedChemExpress

MedChemExpress I-BET282 is a pan-inhibitor of all eight BET bromodomains, and selectivity over other representative bromodomain-containing proteins. I-BET282 shows pIC50s ranging 6.4-7.7 for BRD2 (BD1/BD2), BRD2 (BD1/BD), BRD3 (BD1/BD), and BRD4 (BD1/BD).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 450.53
Color White
Physical Form Solid
Chemical Name or Material I-BET282
Grade Research
SMILES COC1=C(C2=C(C)ON=C2C)C=C(N=CC3=C4N(C(C5CCOCC5)=N3)[C@@H](COC)C)C4=C1
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.12%
CAS 1422554-34-4
Solubility Information DMSO : 100 mg/mL (221.96 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C25H30N4O4
Formula Weight 450.53
11

Sofosbuvir impurity I, MedChemExpress

MedChemExpress Sofosbuvir impurity I, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity.

ENCOMPASS_PREFERRED
CAS 2164516-85-0
Molecular Weight (g/mol) 515.43
Color White
Physical Form Solid
Chemical Name or Material Sofosbuvir impurity I
Grade Research
SMILES O=[P@@](N[C@@H](C)C(OCC)=O)(OC[C@@H]1[C@@H](O)[C@](F)(C)[C@H](N2C=CC(NC2=O)=O)O1)OC3=CC=CC=C3
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
For Use With (Application) COVID-19-anti-virus
Molecular Formula C21H27FN3O9P
Formula Weight 515.43
12

Anemarrhenasaponin I, MedChemExpress

MedChemExpress Anemarrhenasaponin I, a traditional Chinese medicine, shows remarkable inhibiting effect on platelet aggregation.

ENCOMPASS_PREFERRED
13

Officinalisinin I, MedChemExpress

MedChemExpress Officinalisinin I is a steroidal saponin, isolated from Anemarrhena asphodeloides.

ENCOMPASS_PREFERRED
14

IRAK-1-4 Inhibitor I, MedChemExpress

MedChemExpress IRAK-1-4 Inhibitor I is an inhibitor of interleukin-1 receptor-associated kinase 1/4 (IRAK 1/4) with IC50s of 0.2 μM and 0.3 μM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 395.41
Color Light Yellow
Physical Form Solid
Chemical Name or Material IRAK-1-4 Inhibitor I
Grade Research
SMILES O=C(C1=CC=CC([N+]([O-])=O)=C1)NC2=NC3=CC=CC=C3N2CCN4CCOCC4
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.2%
CAS 509093-47-4
Solubility Information DMF : 25 mg/mL (63.23 mM; ultrasonic and warming and heat to 60°C) ∣DMSO : 5 mg/mL (12.65 mM; ultrasonic and adjust pH to 3 with HCl) ∣Ethanol : < 1 mg/mL (insoluble) ∣H2O : < 0.1 mg/mL (insoluble)
Synonym IRAK-1/4 Inhibitor I
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C20H21N5O4
Formula Weight 395.41
15

Thermo Scientific Chemicals Rose Bengal

CAS: 632-69-9 Molecular Formula: C20H4Cl4I4Na2O5 Molecular Weight (g/mol): 1019.644 MDL Number: MFCD00151169 InChI Key: DPBQSRZQYAYDGY-UHFFFAOYSA-N Synonym: rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin PubChem CID: 87244310 IUPAC Name: sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]

EDGE
PubChem CID 87244310
CAS 632-69-9
Molecular Weight (g/mol) 1019.644
MDL Number MFCD00151169
SMILES C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]
Synonym rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin
IUPAC Name sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key DPBQSRZQYAYDGY-UHFFFAOYSA-N
Molecular Formula C20H4Cl4I4Na2O5