CE-245677 - ≥98% , CAS No.717899-97-3

CAS: 717899-97-3 Cat. No.: C646954 Summenformel: C₂₄H₂₂Cl₂N₆O₃ Molekulargewicht: 513.4 PubChem CID: 16048643

QUALITÄT & REINHEIT ≥98%

Synonyms

D80416 | VFCRSIORGUNNGT-UHFFFAOYSA-N | CE-245677 | UNII-GMH17J9LHL | Urea, N-(5-((4-amino-7-(1-methylethyl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)carbonyl)-2-methoxyphenyl)-N'-(2,4-dichlorophenyl)- | 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbony

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with a cellular IC 50 s of 4.7 and 1 nM.

In Vitro

CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with a cellular IC 50 of 4.7 and 1 nM, and displays >100x selectivity against a number of other angiogenic receptor tyrosine kinases, such as KDR, PDGFR, FGFR. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CE-245677 shows good oral absorption in in vivo rat PK studies (F=80%) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:TrkA Tie2 4.7 nM (IC 50 )

Spezifikationen

Synonyme

D80416 | VFCRSIORGUNNGT-UHFFFAOYSA-N | CE-245677 | UNII-GMH17J9LHL | Urea, N-(5-((4-amino-7-(1-methylethyl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)carbonyl)-2-methoxyphenyl)-N'-(2,4-dichlorophenyl)- | 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbony

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with a cellular IC 50 s of 4.7 and 1 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CC(=C(C=C3)OC)NC(=O)NC4=C(C=C(C=C4)Cl)Cl

IUPAC Name

1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)urea

InChIKey

VFCRSIORGUNNGT-UHFFFAOYSA-N

INCHI

1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34)

Isomere SMILES

CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CC(=C(C=C3)OC)NC(=O)NC4=C(C=C(C=C4)Cl)Cl

Alternative CAS-Nummer

717899-97-3

PubChem CID

16048643

Molekulargewicht

513.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: N-phenylureas Methoxyanilines Pyrrolo[2,3-d]pyrimidines Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides Imidolactams Substituted pyrroles Vinylogous amides Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - N-phenylurea - Pyrrolo[2,3-d]pyrimidine - Methoxyaniline - Pyrrolopyrimidine - Anisole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Substituted pyrrole - Pyrimidine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Heteroaromatic compound - Urea - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 125 mg/mL (243.48 mM; Need ultrasonic)
• Molekulargewicht: 513.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 512.113 Da
• Monoisotopic Mass: 512.113 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 761.000
• 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