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Details

Stereochemistry ACHIRAL
Molecular Formula C27H32N4O7S
Molecular Weight 556.631
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SSR-69071

SMILES

COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C

InChI

InChIKey=DRZXDZYWZSKFDL-UHFFFAOYSA-N
InChI=1S/C27H32N4O7S/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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Neutrophil elastase
5
Target ID: P08246
Gene ID: 1991.0
Gene Symbol: ELANE
Target Organism: Homo sapiens (Human)
Inhibitor
8297
 0.0168 nM [Ki]
Name Type Language
SSR-69071
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
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)-
Systematic Name English
2-((6-METHOXY-1,1-DIOXIDO-3-OXO-4-(PROPAN-2-YL)-1,2-BENZOTHIAZOL-2(3H)-YL)METHOXY)-9-(2-(PIPERIDIN-1-YL)ETHOXY)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
Systematic Name English
SSR69071
Code English
2-(4-ISOPROPYL-6-METHOXY-1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA*6*-BENZOD)ISOTHIAZOL-2-YLMETHOXY)-9-(2-PIPERIDIN-1-YL-ETHOXY)-PYRIDO1,2-A)PYRIMIDIN-4-ONE
Systematic Name English
6-METHOXY-1,1-DIOXO-2-((4-OXO-9-(2-PIPERIDIN-1-YLETHOXY)PYRIDO(1,2-A)PYRIMIDIN-2-YL)OXYMETHYL)-4-PROPAN-2-YL-1,2-BENZOTHIAZOL-3-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1047368
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY
FDA UNII
Z96REB2D8H
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
2-((6-METHOXY-1,1-DIOXIDO-3-OXO-4-(PROPAN-2-YL)-1,2-BENZOTHIAZOL-2(3H)-YL)METHOXY)-9-(2-(PIPERIDIN-1-YL)ETHOXY)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY Primary Action: Potent, orally active human leukocyte elastase inhibitor; Biological Description: High affinity, potent inhibitor of human leukocyte elastase (HLE) (IC50 = 3.9 nM). Displays species-selectivity (Ki values are 0.017, 1.70, 3.01, 58 and > 100 nM for human, mouse, rat, rabbit and porcine elastase respectively). Inhibits HLE-induced lung hemorrhage in mice (ID50 = 2.8 mg/kg) and reduces infarct size in an in vivo acute model of coronary ischemia-reperfusion injury. Orally active.
MANUFACTURER PRODUCT INFORMATION
SSR-69071
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY Description: SSR 69071 is a high affinity, potent inhibitor of Neutrophil Elastase (human leukocyte elastase, HLE) (IC50 = 3.9 nM). SSR 69071 displays species-selectivity (Ki values are 0.017, 1.70, 3.01, 58 and > 100 nM for human, mouse, rat, rabbit and porcine elastase respectively).
CAS
344930-95-6
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY
PUBCHEM
9872438
Created by admin on Sat Dec 16 08:47:15 GMT 2023 , Edited by admin on Sat Dec 16 08:47:15 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of SSR-69071
SALT/SOLVATE (PARENT)
Structure of SSR-69071 MONOBENZOATE
NIH
NCATS
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