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MK 0822

CAT: 0926-FM65088-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FM65088-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
603139-19-1
Synonyms
Odanacatinib
MDL Number
MFCD11042419
Smiles
CC (C) (C[C@@H] (C (=O) NC1 (CC1) C#N) N[C@@H] (C2=CC=C (C=C2) C3=CC=C (C=C3) S (=O) (=O) C) C (F) (F) F) F
Molecular Formula
C25H27F4N3O3S
Molecular Weight
525.56 g/mol
Controlled
No

Chemical Information

Odanacatib

Odanacatib is an inhibiter of cathepsin K which was originally developed be Merck & Co as a new treatment for osteoporosis. The drug made it to phase III trials before abandoned due to increased stroke.

CAS Number603139-19-1
PubChem CID10152654
IUPAC Name(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Molecular FormulaC25H27F4N3O3S
Molecular Weight525.6
XLogP4.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity934
SMILES
CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
InChI
InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
InChIKey
FWIVDMJALNEADT-SFTDATJTSA-N
Chemical Structure
2D Structure
2D structure of Odanacatib
CAS: 603139-19-1
CID: 10152654
Formula: C25H27F4N3O3S
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass525.17092555
Monoisotopic Mass525.17092555
Topological Polar Surface Area107 Ų
Heavy Atom Count36
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M425015-100MGMK-0822
A2487-5.1Odanacatib (MK-0822)
MBS132466-01Odanacatib, MK-0822
A11265-100Odanacatib (MK-0822) 100mg
A11265-2Odanacatib (MK-0822) 2mg
A11265-1Odanacatib (MK-0822) 1mg
MOFY-0822-FY518NMY51 competent cells (MOFY-0822-FY518)
MOFY-0822-FY520BY4741 competent cells (MOFY-0822-FY520)
MOFY-0822-FY548C58C1 competent cells (MOFY-0822-FY548)
MOFY-0822-FY523YM4271 competent cells (MOFY-0822-FY523)

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