JQ1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25ClN4O2S
Molecular Weight	456.988
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NN=C2[C@H](CC(=O)OC(C)(C)C)N=C(C3=C(SC(C)=C3C)N12)C4=CC=C(Cl)C=C4

InChI

InChIKey=DNVXATUJJDPFDM-KRWDZBQOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C23H25ClN4O2S
Molecular Weight	456.988
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:27:51 UTC 2023` Edited by `admin` on `Sat Dec 16 02:27:51 UTC 2023`
Record UNII	1MRH0IMX0W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JQ1

Code

English

(S)-JQ1

Code

English

JQ-1

Code

English

(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

Systematic Name

English

TERT-BUTYL 2-((6S)-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

Systematic Name

English

(+)-JQ1

Code

English

6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-6-ACETIC ACID, 4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (6S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1MRH0IMX0W