3-epi-Betulinic Acid-d3

CAS: 472-15-1

Ref. TR-B330251

Informação sobre produto

• Nome: 3-epi-Betulinic Acid-d3
• Sinónimos: 3-epi-Mairin-d3, 3-epi-Betulic Acid-d3, 3-epi-Lupatic Acid-d3, 3-epi-NSC 113090-d3
• Marca: TRC

Descrição

Applications 3-epi-Betulinic Acid-d3 is an isotope labelled analog of Betulinic Acid (B330250); a natural pentacyclic triterpenoid that displays anti-inflammatory and anti-HIV activity. Betulinic Acid selectively induces apoptosis in tumor cells by directly activating the mitochondrial pathway of apoptosis through a p53- and CD95-independent mechanism. Betulinic Acid also exhibits TGR5 agonist activity. In addition, 3-epi-Betulinic Acid-d3 is an epimer by-product isomer of Betulinic Acid-d3 (B330252).
References Pisha, E. et al.: Nat. Med., 1, 1046 (1995); Fulda, S. et al.: Cancer Res., 57, 4956 (1997); Kashiwada, Y. et al.: J. Med. Chem., 39, 1016 (1996); Genet, C. et al.: J. Med. Chem., 53, 178 (2010)

Propriedades químicas

• Peso molecular: 459.719
• Fórmula: C₃₀D₃H₄₅O₃
• Cor/forma: Neat
• InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1/i12D2,23D
• Chave InChI: InChIKey=QGJZLNKBHJESQX-JXLSGRPHSA-N
• SMILES: [2H]C1([2H])C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)[C@]1([2H])O