TW-37

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H35NO6S
Molecular Weight	573.699
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=CC=CC=C1CC2=C(O)C(O)=C(O)C(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C

InChI

InChIKey=PQAPVTKIEGUPRN-UHFFFAOYSA-N

InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)

HIDE SMILES / InChI

Molecular Formula	C33H35NO6S
Molecular Weight	573.699
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Apoptosis regulator Bcl-X 8 Target ID: CHEMBL4625 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17034116	Inhibitor 8297	1.11 µM [Ki]
Apoptosis regulator Bcl-2 19 Target ID: CHEMBL4860 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17034116	Inhibitor 8297	0.29 µM [Ki]
Induced myeloid leukemia cell differentiation protein Mcl-1 2 Target ID: CHEMBL4361 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17034116	Inhibitor 8297	0.26 µM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:25 GMT 2023` Edited by `admin` on `Sat Dec 16 10:58:25 GMT 2023`
Record UNII	FQ8NY4LUO5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TW-37

Code

English

N-(4-((2-(1,1-DIMETHYLETHYL)PHENYL)SULFONYL)PHENYL)-2,3,4-TRIHYDROXY-5-((2-(1-METHYLETHYL)PHENYL)METHYL)BENZAMIDE

Common Name

English

TW 37

Code

English

BENZAMIDE, N-(4-((2-(1,1-DIMETHYLETHYL)PHENYL)SULFONYL)PHENYL)-2,3,4-TRIHYDROXY-5-((2-(1-METHYLETHYL)PHENYL)METHYL)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

764020