Relacatib

CAT: 0013-GTR19189041Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19189041Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Relacatib (SB-462795) is a potent, orally bioavailable inhibitor of cathepsins K, L, and V. It effectively reduces human osteoclast-mediated bone resorption in vitro and shows anti-resorptive efficacy in primate models in vivo, supporting its research use in osteoporosis and bone biology.

CAS Number

362505-84-8

Field of Research

Protein Biochemistry

Smiles

CC (C) C[C@H] (NC (=O) c1cc2ccccc2o1) C (=O) N[C@H]1CC[C@@H] (C) N (CC1=O) S (=O) (=O) c1ccccn1

Molecular Formula

C27H32N4O6S

Molecular Weight

540.64

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Relacatib

a cathepsin K inhibitor; structure in first source

CAS Number	362505-84-8
PubChem CID	6918602
IUPAC Name	N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
Molecular Formula	C27H32N4O6S
Molecular Weight	540.6
XLogP	3.9
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	967

SMILES

C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1

InChIKey

BWYBBMQLUKXECQ-GIVPXCGWSA-N

Chemical Structure

2D Structure

CAS: 362505-84-8

CID: 6918602

Formula: C27H32N4O6S

MW: 540.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.6
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	540.20425593
Monoisotopic Mass	540.20425593
Topological Polar Surface Area	147 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	967
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5800705	Relacatib

Relacatib

Chemical Information

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