SSR-69071 HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H32N4O7S.ClH
Molecular Weight	593.092
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC(C(C)C)=C2C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S(=O)(=O)C2=C1

InChI

InChIKey=MWOQXJBKJLDUKK-UHFFFAOYSA-N

InChI=1S/C27H32N4O7S.ClH/c1-18(2)20-14-19(36-3)15-22-25(20)27(33)31(39(22,34)35)17-38-23-16-24(32)30-11-7-8-21(26(30)28-23)37-13-12-29-9-5-4-6-10-29;/h7-8,11,14-16,18H,4-6,9-10,12-13,17H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C27H32N4O7S
Molecular Weight	556.631
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	Condition	Potency
Neutrophil elastase 5 Target ID: P08246 Gene ID: 1991.0 Gene Symbol: ELANE Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12606659	Inhibitor 8297		0.0168 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:41:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:41:48 GMT 2023`
Record UNII	F8GP5758EV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SSR-69071 HYDROCHLORIDE

Code

English

4-ISOPROPYL-6-METHOXY-1,1-DIOXO-2-((4-OXO-9-(2-(1-PIPERIDYL)ETHOXY)PYRIDO(1,2-A)PYRIMIDIN-2-YL)OXYMETHYL)-1,2-BENZOTHIAZOL-3-ONE HYDROCHLORIDE

Systematic Name

English

4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 2-((6-METHOXY-4-(1-METHYLETHYL)-1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHOXY)-9-(2-(1-PIPERIDINYL)ETHOXY)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

10282027

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

FDA UNII

F8GP5758EV

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

CAS

344930-96-7

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

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SSR-69071

ACTIVE MOIETY

Amount: