sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks GW311616 hydrochloride

GW311616 hydrochloride

CAS No.:
197890-44-1
Catalog Number:
AG00ABKB
Molecular Formula:
C19H32ClN3O4S
Molecular Weight:
433.9931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$328
- +
Product Description
Catalog Number:
AG00ABKB
Chemical Name:
GW311616 hydrochloride
CAS Number:
197890-44-1
Molecular Formula:
C19H32ClN3O4S
Molecular Weight:
433.9931
MDL Number:
MFCD06411566
IUPAC Name:
(3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride
InChI:
InChI=1S/C19H31N3O4S.ClH/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20;/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15-,17+,18-;/m1./s1
InChI Key:
UFCZUKYPBPXODT-OFTZGUNKSA-N
SMILES:
CC([C@H]1[C@@H]2N(CC[C@H]2N(C1=O)S(=O)(=O)C)C(=O)/C=C/CN1CCCCC1)C.Cl
UNII:
171SKM32U6
Properties
Complexity:
707  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
433.18g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
433.992g/mol
Monoisotopic Mass:
433.18g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Achillea millefolium L. s.l. -- is the anti-inflammatory activity mediated by protease inhibition? Journal of ethnopharmacology 20070905
Discovery of further pyrrolidine trans-lactams as inhibitors of human neutrophil elastase (HNE) with potential as development candidates and the crystal structure of HNE complexed with an inhibitor (GW475151). Journal of medicinal chemistry 20020829
The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Bioorganic & medicinal chemistry letters 20010409
Properties