GDC-0134 - Moligand™ , Inhibitor of mitogen-activated protein kinase kinase kinase 12, CAS No.G610529, Inhibitor of mitogen-activated protein kinase kinase kinase 12

CAS: G610529 Cat. No.: G610529 PubChem CID: 86298636

GRADE & PURITY Moligand™

Synonyms

RG-6000 | SCHEMBL16210454 | 4N6KQ7D685 | 2-Pyridinamine, 3-(difluoromethoxy)-5-(2-(3,3-difluoro-1-pyrrolidinyl)-6-(1S,4S)-2-oxa-5-azabicyclo(2.2.1)hept-5-yl-4-pyrimidinyl)- | GDC0134 | GDC-0134 | GTPL11506 | UNII-4N6KQ7D685 | 1637394-01-4 | compound 279

Storage

Room temperature

Specifications

Synonyms

RG-6000 | SCHEMBL16210454 | 4N6KQ7D685 | 2-Pyridinamine, 3-(difluoromethoxy)-5-(2-(3, 3-difluoro-1-pyrrolidinyl)-6-(1S, 4S)-2-oxa-5-azabicyclo(2.2.1)hept-5-yl-4-pyrimidinyl)- | GDC0134 | GDC-0134 | GTPL11506 | UNII-4N6KQ7D685 | 1637394-01-4 | compound 279

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase kinase kinase 12

Names and Identifiers

• Canonical Smiles: FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F
• InChIKey: SKMKJBYBPYBDMN-RYUDHWBXSA-N
• INCHI: 1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1
• Isomeric SMILES: C1CN(CC1(F)F)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F
• PubChem CID: 86298636

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Morpholines Imidolactams Pyrrolidines Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Morpholine - Oxazinane - Pyridine - Imidolactam - Pyrrolidine - Heteroaromatic compound - Oxolane - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a 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)

MAP3K12 Tchem Mitogen-activated protein kinase kinase kinase 12 (2 Activities)

Discover Target: MAP3K12

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

MAP3K13 Tchem Mitogen-activated protein kinase kinase kinase 13 (265 Activities)

Discover Target: MAP3K13

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

Mechanisms of Action