STX-140

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H28N2O7S2
Molecular Weight	460.565
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](OS(N)(=O)=O)[C@@]1(C)CC[C@]3([H])C4=CC(OC)=C(OS(N)(=O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=AQSNIXKAKUZPSI-SSTWWWIQSA-N

InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H28N2O7S2
Molecular Weight	460.565
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Steryl-sulfatase 33 Target ID: CHEMBL3559 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17181151	Inhibitor 8297		39.0 nM [IC50]
Carbonic anhydrase II 88 Target ID: CHEMBL205 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17181151	Inhibitor 8297		379.0 nM [IC50]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:21 GMT 2023` Edited by `admin` on `Sat Dec 16 16:11:21 GMT 2023`
Record UNII	S57SQE6LE5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STX-140

Code

English

2-Methoxyestradiol disulfamate

Common Name

English

3,17β-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene

Systematic Name

English

Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, disulfamate, (17β)-

Systematic Name

English

STX140

Code

English

(1S,3aS,3bR,9bS,11aS)-8-methoxy-11a-methyl-7-(sulfamoyloxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl sulfamate

Systematic Name

English

Code System Code Type Description

PUBCHEM

9804302