dCBP-1 - Moligand™,≥99% , CAS No.2484739-25-3

CAS: 2484739-25-3 Cat. No.: D646936 分子式: C₅₁H₆₃F₂N₁₁O₁₀ 分子量: 1028.11 PubChem CID: 154690309

GRADE & PURITY Moligand™, ≥99%

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Application

PROTAC

概要

dCBP-1 is a potent and selective heterobifunctional degrader of p300/CBP based on Cereblon ligand. dCBP-1 is exceptionally potent at killing multiple myeloma cells and ablates oncogenic enhancer activity driving MYC expression.

Specifications

仕様と純度

Moligand™,≥99%

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

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

純度

≥99%

名前と識別子

• カノニカル・スマイル: CNC(=O)N1CCC2=C(C1)C(=NN2C3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)N7CCCC8=CC(=C(C=C87)C(F)F)C9=CN(N=C9)C
• IUPAC Name: 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• InChIKey: ILVRLRGBSSFKIE-UHFFFAOYSA-N
• INCHI: 1S/C51H63F2N11O10/c1-54-51(70)61-17-11-41-40(31-61)47(62-14-3-4-32-26-37(33-29-56-59(2)30-33)38(46(52)53)28-43(32)62)58-64(41)35-9-15-60(16-10-35)45(66)12-18-71-20-22-73-24-25-74-23-21-72-19-13-55-34-5-6-36-39(27-34)50(69)63(49(36)68)42-7-8-44(65)57-48(42)67/h5-6,26-30,35,42,46,55H,3-4,7-25,31H2,1-2H3,(H,54,70)(H,57,65,67)
• PubChem CID: 154690309
• 分子量: 1028.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Phthalimides Hydroquinolines Alpha amino acids and derivatives Pyridinecarboxamides N-acylpiperidines Isoindoles Piperidinediones Secondary alkylarylamines Delta lactams N-substituted carboxylic acid imides Imidolactams Benzenoids Tertiary carboxylic acid amides Pyrazoles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Ureas Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Phthalimide - Isoindolone - Tetrahydroquinoline - Alpha-amino acid or derivatives - Pyridinecarboxamide - N-acyl-piperidine - Isoindole or derivatives - Isoindole - Isoindoline - Piperidinedione - Secondary aliphatic/aromatic amine - Piperidinone - Delta-lactam - Imidolactam - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Urea - Carbonic acid derivative - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (48.63 mM; ultrasonic and warming and heat to 80°C)
• 分子量: 1028.099 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 21
• Exact Mass: 1027.47 Da
• Monoisotopic Mass: 1027.47 Da
• Topological Polar Surface Area: 224.000 Ų
• Heavy Atom Count: 74
• Formal Charge: 0
• Complexity: 1960.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1