BMS-986260 - Moligand™, ≥98% , Inhibitor of activin A receptor type 1;Inhibitor of activin A receptor type 1B;Inhibitor of transforming growth factor beta receptor 1, CAS No.2001559-19-7, Inhibitor of activin A receptor type 1;Inhibitor of activin A receptor type 1B;Inhibitor of transforming growth factor beta receptor 1

CAS: 2001559-19-7 Cat. No.: B412813 Molecular Weight: 382.8

GRADE & PURITY Moligand™, ≥98%

Synonyms

BMS986260 | BMS-986260 | GTPL10662 | EX-A7758 | AKOS040759507 | 2001559-19-7 | HY-W107024 | SCHEMBL18041543 | AT27405 | Example 32' [WO2016140884A1] | compound 10 [Velaparthi et al., 2020] | 6-(4-(3-Chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

BMS-986260 is a potent, selective, and orally bioavailable inhibitor of TGFβR1 with IC50 of 1.6 nM.

Specifications

Synonyms

BMS986260 | BMS-986260 | GTPL10662 | EX-A7758 | AKOS040759507 | 2001559-19-7 | HY-W107024 | SCHEMBL18041543 | AT27405 | Example 32' [WO2016140884A1] | compound 10 [Velaparthi et al., 2020] | 6-(4-(3-Chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

BMS-986260 is a potent, selective, and orally bioavailable inhibitor of TGFβR1 with IC50 of 1.6 nM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of activin A receptor type 1;Inhibitor of activin A receptor type 1B;Inhibitor of transforming growth factor beta receptor 1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C2=C(N(C=N2)CCO)C3=NN4C(=NC=C4C#N)C=C3)Cl)F
• IUPAC Name: 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
• InChIKey: VZZBCNXVZFAIQX-UHFFFAOYSA-N
• INCHI: 1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(N(C=N2)CCO)C3=NN4C(=NC=C4C#N)C=C3)Cl)F
• Alternate CAS: 2001559-19-7
• Molecular Weight: 382.8
• Reaxy-Rn: 30323016
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30323016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Fluorobenzenes Chlorobenzenes Pyridazines and derivatives N-substituted imidazoles Aryl fluorides Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Pyridazine - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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)

TGFBR1 Tchem TGF-beta receptor type-1 (2 Activities)

Discover Target: TGFBR1

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

ACVR1 Tchem Activin receptor type-1 (0 Activities)

Discover Target: ACVR1

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

ACVR1B Tchem Activin receptor type-1B (0 Activities)

Discover Target: ACVR1B

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGFBR1 Tchem TGF-beta receptor type I (3786 Activities)

Discover Target: TGFBR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGFBR2 Tchem TGF-beta receptor type II (795 Activities)

Discover Target: TGFBR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MC-38 (857 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

4T1 (1737 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tgfbr1 TGF-beta receptor type-1 (52 Activities)

Discover Target: Tgfbr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 382.800 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 382.075 Da
• Monoisotopic Mass: 382.075 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 575.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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