CC-930 - Moligand™, 10mM in DMSO , Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9, CAS No.899805-25-5, Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9

CAS: 899805-25-5 Cat. No.: C426751 分子式: C₂₁H₂₃F₃N₆O₂ 分子量: 448.44

グレード＆純度 Moligand™, 10mM in DMSO

Synonyms

KBI | SCHEMBL10179476 | C77038 | A900102 | D10168 | NSC800943 | NSC-800943 | SCHEMBL2133061 | AC-33706 | CC-930CC-930 | EX-A3115 | CC-930(Tanzisertib) | Tanzisertib (USAN) | CC930 | Tanzisertib [USAN:INN] | trans-4-((9-((3S)-Tetrahydrofuran-3-yl)-8-((2,4,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

仕様

同義語

KBI | SCHEMBL10179476 | C77038 | A900102 | D10168 | NSC800943 | NSC-800943 | SCHEMBL2133061 | AC-33706 | CC-930CC-930 | EX-A3115 | CC-930(Tanzisertib) | Tanzisertib (USAN) | CC930 | Tanzisertib [USAN:INN] | trans-4-((9-((3S)-Tetrahydrofuran-3-yl)-8-((2,4,

仕様と純度

Moligand™, 10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of mitogen-activated protein kinase 10;Inhibitor of mitogen-activated protein kinase 8;Inhibitor of mitogen-activated protein kinase 9

名前と識別子

パブケム・シド

528763689

カノニカル・スマイル

C1CC(CCC1NC2=NC=C3C(=N2)N(C(=N3)NC4=C(C=C(C=C4F)F)F)C5CCOC5)O

IUPAC Name

4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol

InChIKey

IBGLGMOPHJQDJB-MOKVOYLWSA-N

INCHI

1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1

異性体SMILES

C1COC[C@H]1N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O

分子量

448.44

Reaxy-Rn

25223423

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25223423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Cyclohexanols Aminopyrimidines and derivatives N-substituted imidazoles Aryl fluorides Aminoimidazoles Tetrahydrofurans Heteroaromatic compounds Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Cyclohexanol - Aminopyrimidine - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aminoimidazole - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Cyclic alcohol - Azole - Secondary alcohol - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• 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

関連ターゲット（人間）

MAPK10 Tchem Mitogen-activated protein kinase 10 (4 Activities)

Discover Target: MAPK10

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

MAPK8 Tchem Mitogen-activated protein kinase 8 (2 Activities)

Discover Target: MAPK8

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

MAPK9 Tchem Mitogen-activated protein kinase 9 (6 Activities)

Discover Target: MAPK9

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

化学的性質と物理的性質

• 分子量: 448.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 448.183 Da
• Monoisotopic Mass: 448.183 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 618.000
• 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: 1