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CAS RN 1268524-70-4

CH3SNNNNCH3OOH3CH3CCH3ClCH3

CAS RN 1268524-70-4

IUPAC Name: tert-butyl 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0²,⁶]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Synonyms: tert-butyl 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0²,⁶]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Molecular Weight (g/mol): 456.99
Molecular Formula: C23H25ClN4O2S
InChi Key: DNVXATUJJDPFDM-UHFFFAOYNA-N
SMILES: CC1=C(C)C2=C(S1)N1C(C)=NN=C1C(CC(=O)OC(C)(C)C)N=C2C1=CC=C(Cl)C=C1
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1

(S)-(+)-Tert-butyl 2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate, TRC

CAS: 1268524-70-4 Chemical Name or Material: (S)-(+)-Tert-butyl 2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate Formula Weight: 456.1387 InChI Formula: InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 Molecular Formula: C23 H25 Cl N4 O2 S Molecular Weight (g/mol): 456.99 Recommended Storage: -20°C SMILES: Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C Synonym: (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic Acid 1,1-Dimethylethyl Ester,(+)-JQ1

CAS 1268524-70-4
Molecular Weight (g/mol) 456.99
InChI Formula InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
Chemical Name or Material (S)-(+)-Tert-butyl 2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
Synonym (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic Acid 1,1-Dimethylethyl Ester,(+)-JQ1
SMILES Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C
Recommended Storage -20°C
Molecular Formula C23 H25 Cl N4 O2 S
Formula Weight 456.1387
2
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Tocris Bioscience™ (+)-JQ1
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3

(+)-JQ-1, MedChemExpress

MedChemExpress (+)-JQ-1 (JQ1) is a potent, specific, and reversible BET bromodomain inhibitor, with IC50s of 77 and 33 nM for the first and second bromodomain (BRD4(1/2)). (+)-JQ-1 also activates autophagy.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 456.99
Color Light Yellow
Physical Form Solid
Chemical Name or Material (+)-JQ-1
Grade Research
SMILES O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)OC(C)(C)C
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.65%
CAS 1268524-70-4
Solubility Information DMSO : ≥ 45 mg/mL (98.47 mM)
Synonym JQ1
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 C23H25ClN4O2S
Formula Weight 456.99