CMPD101
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MedKoo CAT#: 523120

CAS#: 865608-11-3

Description: CMPD101 is a novel, potent and selective G-protein coupled receptor kinase 2 and 3 (GRK2/GRK3) inhibitor (IC50 values are 35 and 32 nM at GRK2 and GRK3 respectively). CMPD101 exhibits selectivity for GRK2/3 over GRK1/5 and reduces DAMGO-induced desensitization and internalization of μ-opioid receptors. CMPD101 has been shown to potentiate phosphatidylinositol 4,5-bisphosphate (PIP2) depletion and slow agonist-induced desensitization of protease-activated receptor 2 (PAR2).


Chemical Structure

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CMPD101
CAS# 865608-11-3

Theoretical Analysis

MedKoo Cat#: 523120
Name: CMPD101
CAS#: 865608-11-3
Chemical Formula: C24H21F3N6O
Exact Mass: 466.17
Molecular Weight: 466.470
Elemental Analysis: C, 61.80; H, 4.54; F, 12.22; N, 18.02; O, 3.43

Price and Availability

Size Price Availability Quantity
25mg USD 950 2 Weeks
50mg USD 1650 2 Weeks
100mg USD 2950 2 Weeks
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Synonym: CMPD101; CMPD 101; CMPD-101; Takeda101; Takeda-101; Takeda 101.

IUPAC/Chemical Name: 3-[[[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]methyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

InChi Key: WFOVEDJTASPCIR-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)

SMILES Code: O=C(NCC1=CC=CC=C1C(F)(F)F)C2=CC=CC(NCC3=NN=C(C4=CC=NC=C4)N3C)=C2

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Biological target: CMPD101 is a small-molecule inhibitor of GRK2/3 with IC50 of 18 nM and 5.4 nM, respectively.
In vitro activity: In conclusion, CMPD101 inhibits adrenergic, neurogenic, and non-adrenergic smooth muscle contractions in the human prostate.
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 20.0 42.88
Ethanol 28.3 60.73

Preparing Stock Solutions

The following data is based on the product molecular weight 466.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Yu Q, Gratzke C, Wang Y, Herlemann A, Strittmatter F, Rutz B, Stief CG, Hennenberg M. Inhibition of prostatic smooth muscle contraction by the inhibitor of G protein-coupled receptor kinase 2/3, CMPD101. Eur J Pharmacol. 2018 Jul 15;831:9-19. doi: 10.1016/j.ejphar.2018.04.022. Epub 2018 Apr 23. PMID: 29698717.
In vitro protocol: 1. Yu Q, Gratzke C, Wang Y, Herlemann A, Strittmatter F, Rutz B, Stief CG, Hennenberg M. Inhibition of prostatic smooth muscle contraction by the inhibitor of G protein-coupled receptor kinase 2/3, CMPD101. Eur J Pharmacol. 2018 Jul 15;831:9-19. doi: 10.1016/j.ejphar.2018.04.022. Epub 2018 Apr 23. PMID: 29698717.
In vivo protocol: TBD

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1: Lowe JD, Sanderson HS, Cooke AE, Ostovar M, Tsisanova E, Withey SL, Chavkin C, Husbands SM, Kelly E, Henderson G, Bailey CP. Role of G Protein-Coupled Receptor Kinases 2 and 3 in μ-Opioid Receptor Desensitization and Internalization. Mol Pharmacol. 2015 Aug;88(2):347-56. doi: 10.1124/mol.115.098293. Epub 2015 May 26. PubMed PMID: 26013542; PubMed Central PMCID: PMC4518089.