CC-930 - Moligand™, ≥98% , 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.: C126262 Formula: C₂₁H₂₃F₃N₆O₂ Molecular Weight: 448.44

GRADE & PURITY Moligand™, ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

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,

Specifications & Purity

Moligand™, ≥98%

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

504766575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766575

Canonical Smiles

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

Isomeric SMILES

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

Molecular Weight

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
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 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