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Home Other Building Blocks Pf-04971729

Pf-04971729

CAS No.:
1210344-57-2
Catalog Number:
AG003AC5
Molecular Formula:
C22H25ClO7
Molecular Weight:
436.8827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$154
- +
50mg
99%
1 week
United States
$223
- +
Product Description
Catalog Number:
AG003AC5
Chemical Name:
Pf-04971729
CAS Number:
1210344-57-2
Molecular Formula:
C22H25ClO7
Molecular Weight:
436.8827
MDL Number:
MFCD21609259
IUPAC Name:
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
InChI:
InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
InChI Key:
MCIACXAZCBVDEE-CUUWFGFTSA-N
SMILES:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O
UNII:
6C282481IP
Properties
Complexity:
586  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
436.129g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
436.885g/mol
Monoisotopic Mass:
436.129g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Preclinical species and human disposition of PF-04971729, a selective inhibitor of the sodium-dependent glucose cotransporter 2 and clinical candidate for the treatment of type 2 diabetes mellitus. Drug metabolism and disposition: the biological fate of chemicals 20110901
Discovery of a clinical candidate from the structurally unique dioxa-bicyclo[3.2.1]octane class of sodium-dependent glucose cotransporter 2 inhibitors. Journal of medicinal chemistry 20110428
Sodium glucose cotransporter 2 inhibitors as a new treatment for diabetes mellitus. The Journal of clinical endocrinology and metabolism 20100101
From victim to ally: the kidney as an emerging target for the treatment of diabetes mellitus. Current medical research and opinion 20090301
The crustacean cuticle--III. Composition of the individual layers in Cancer pagurus cuticle. Comparative biochemistry and physiology. A, Comparative physiology 19751201
Properties