Crinecerfont hydrochloride - ≥98% , CAS No.321839-75-2

CAS: 321839-75-2 Cat. No.: C646900 Molecular Weight: 519.50 PubChem CID: 9806689

GRADE & PURITY ≥98%

Synonyms

MS-29632 | SSR 125543A | SSR 125543 hydrochloride | 4-(2-Chloro-4-methoxy-5-methylphenyl)-N-((1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-(2-propynyl)-1,3-thiazol-2-amine hydrochloride | AKOS040758042 | 4-(2-chloro-4-methoxy-5-methylphe

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Crinecerfont (SSR-125543) hydrochloride is a potent, orally active, non-peptide CRF1 receptor antagonist. Crinecerfont can be used for Classic congenital adrenal hyperplasia (CAH) research

Form:Solid

IC50& Target:IC50: CRF1 receptor

Specifications

Synonyms

MS-29632 | SSR 125543A | SSR 125543 hydrochloride | 4-(2-Chloro-4-methoxy-5-methylphenyl)-N-((1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-(2-propynyl)-1, 3-thiazol-2-amine hydrochloride | AKOS040758042 | 4-(2-chloro-4-methoxy-5-methylphe

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Crinecerfont (SSR-125543) hydrochloride is a potent, orally active, non-peptide CRF1 receptor antagonist. Crinecerfont can be used for Classic congenital adrenal hyperplasia (CAH) research.

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C=C(C=C1)C(CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F.Cl
• IUPAC Name: 4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
• InChIKey: BMXALUHUEGRRCH-JIDHJSLPSA-N
• INCHI: 1S/C27H28ClFN2OS.ClH/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28;/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3;1H/t24-;/m0./s1
• Isomeric SMILES: CC1=C(C=C(C=C1)[C@H](CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F.Cl
• Alternate CAS: 321839-75-2
• PubChem CID: 9806689
• MeSH Entry Terms: 4-(2-chloro-4-methoxy-5-methylphenyl)-N(2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-(2-propynyl)-1,3-thiazol-2-amine;SSR 125543A;SSR 125543Q;SSR-125543A;SSR-125543Q;SSR125543A;SSR125543Q
• Molecular Weight: 519.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Toluenes Chlorobenzenes Fluorobenzenes 2-amino-1,3-thiazoles Aryl fluorides Aryl chlorides Heteroaromatic compounds Acetylides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrochlorides Organofluorides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Anisole - Dialkylarylamine - Methoxybenzene - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Toluene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Acetylide - Azacycle - Ether - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CRHR1 Tclin Corticotropin-releasing factor receptor 1 (2 Activities)

Discover Target: CRHR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (192.49 mM; Need ultrasonic)
• Molecular Weight: 519.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 518.136 Da
• Monoisotopic Mass: 518.136 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 699.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3