Pralatrexate

CAS Registry Number®

146464-95-1

CAS Name

Pralatrexate

Molecular Formula

C23H23N7O5

Molecular Mass

477.47

Cite this Page

Pralatrexate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146464-95-1 (retrieved 2024-11-21) (CAS RN: 146464-95-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1

InChIKey

InChIKey=OGSBUKJUDHAQEA-WMCAAGNKSA-N

SMILES

NC=1C2=C(N=CC(CC(CC#C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1

Canonical SMILES

O=C(O)CCC(NC(=O)C1=CC=C(C=C1)C(CC#C)CC=2N=C3C(=NC2)N=C(N=C3N)N)C(=O)O

Other Names for this Substance

  • L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-
  • L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butynyl]benzoyl]-
  • N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamic acid
  • 10-Propargyl-10-deazaaminopterin
  • PDX

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration