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rineterkib , CAS No.1715025-32-3, Inhibitor of mitogen-activated protein kinase 1

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rineterkib , CAS No.1715025-32-3, Inhibitor of mitogen-activated protein kinase 1

COA

Grade & Purity:

Moligand™

Cas Number: 1715025-32-3
PubChem CID: 118045847

In stock

Item Number

R613195

Grouped product items
SKU	Size	Availability	Price	Qty
R613195-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
R613195-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

mitogen-activated protein kinase 1 Inhibitor (14)

Basic Description

Synonyms	15KFN616FK \| EX-A4767 \| 1715025-32-3 \| CAS-4350-09-8 \| CS-0086360 \| MS-30393 \| Benzamide, 4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-N-((1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluoro- \| Rineterkib [INN] \| 4-(3-Amin
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of mitogen-activated protein kinase 1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 N-benzylbenzamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides
Direct Parent	N-benzylbenzamides
Alternative Parents	2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Cyclohexyl halides Cyclohexanols Bromobenzenes Pyrazines N-acyl amines Imidolactams Vinylogous halides Heteroaromatic compounds Fluorohydrins Cyclic alcohols and derivatives Amino acids and derivatives Dialkylamines Carboxylic acid amides Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylbenzamide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Cyclohexyl halide - Halobenzene - Fluorobenzene - Cyclohexanol - Bromobenzene - Imidolactam - Pyrazine - N-acyl-amine - Heteroaromatic compound - Vinylogous halide - Cyclic alcohol - Secondary alcohol - Halohydrin - Fluorohydrin - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors	Not available
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)

MAPK1 Tchem Mitogen-activated protein kinase 1 (1 Activities)

Discover Target: MAPK1

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
INCHI	InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
InChIKey	YFCIFWOJYYFDQP-PTWZRHHISA-N
Smiles	CNCC(C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)C4CCC(C(C4)F)O)F
Isomeric SMILES	CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F
Alternate CAS	1715025-32-3
PubChem CID	118045847

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	578.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	577.13 Da
Monoisotopic Mass	577.13 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	757.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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	1

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