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RMC-4630

CAT: 0013-GTR19170586-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170586-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RMC-4630 (SHP2-IN-7) is a potent and selective allosteric inhibitor of the SHP2 phosphatase. It is a valuable research tool for investigating oncogenic signaling pathways in vitro and has demonstrated antitumor activity in preclinical in vivo models for cancer research.
CAS Number
2172652-48-9
Product Name Alternative
Inhibitor, inhibit, SHP2-IN-7, SHP-2, Phosphatase, RMC 4630, RMC4630, RMC-4630
Field of Research
Metabolism Research
Purity
97.16% (May vary between batches)
Solubility
DMSO:45 mg/mL (99.78 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (4.43 mM)
Smiles
C[C@@H]1OCC2 (CCN (CC2) c2nc (C) c (Sc3ccnc (N) c3Cl) nc2CO) [C@@H]1N
Molecular Formula
C20H27ClN6O2S
Molecular Weight
450.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vociprotafib

Vociprotafib is a small molecule drug. The usage of the INN stem '-protafib' in the name indicates that Vociprotafib is a human protein tyrosine phosphatase (HPTP) inhibitor. Vociprotafib is under investigation in clinical trial NCT05054725 (Combination Study of RMC-4630 and Sotorasib for NSCLC Subjects With KRASG12C Mutation After Failure of Prior Standard Therapies). Vociprotafib has a monoisotopic molecular weight of 450.16 Da.

CAS Number2172652-48-9
PubChem CID134182831
IUPAC Name[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol
Molecular FormulaC20H27ClN6O2S
Molecular Weight451.0
XLogP1.2
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity583
SMILES
C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N=C3CO)SC4=C(C(=NC=C4)N)Cl)C)CO1)N
InChI
InChI=1S/C20H27ClN6O2S/c1-11-19(30-14-3-6-24-17(23)15(14)21)26-13(9-28)18(25-11)27-7-4-20(5-8-27)10-29-12(2)16(20)22/h3,6,12,16,28H,4-5,7-10,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1
InChIKey
HISJAYUQVHMWTA-BLLLJJGKSA-N
Chemical Structure
2D Structure
2D structure of Vociprotafib
CAS: 2172652-48-9
CID: 134182831
Formula: C20H27ClN6O2S
MW: 451.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.0
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass450.1604730
Monoisotopic Mass450.1604730
Topological Polar Surface Area149 Ų
Heavy Atom Count30
Formal Charge0
Complexity583
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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