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Carotegrast methyl

Carotegrast methyl

  • CAT Number: I002145
  • CAS Number: 401905-67-7
  • PubChem Substance ID: 9872780
  • Molecular Formula: C28H26Cl2N4O5
  • Molecular Weight: 569.439
  • Purity: ≥95%
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Carotegrast methyl(cas 401905-67-7) is an orally-active small molecule that antagonises the α4 integrin receptor.

Catalog Number I002145
CAS Number 401905-67-7
Molecular Formula

C28H26Cl2N4O5

Purity 95%
Target α4 integrin receptor
IUPAC Name methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
InChI InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1
InChIKey MMHHPKCJJIFLBQ-QFIPXVFZSA-N
SMILES CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl

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