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SML2494

Pralatrexate

Name: Pralatrexate
Brand: SIGMA

≥98% (HPLC), DHFR inhibitor, powder

Synonym(s):

(2S)-2-[[4-[(1RS)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]pentanedioic acid, 10-propargyl-10-deazaaminopterin, N-(4-{1-[(2,4-diaminopteridin-6-yl)methyl]but-3-yn-1-yl}benzoyl)-L-glutamic acid, PDX

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About This Item

Empirical Formula (Hill Notation):

C₂₃H₂₃N₇O₅

CAS Number:

146464-95-1

Molecular Weight:

477.47

NACRES:

NA.77

UNSPSC Code:

12352200

MDL number:

MFCD00920897

Assay:

≥98% (HPLC)

Form:

powder

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Properties

Product Name

Pralatrexate, ≥98% (HPLC)

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL

storage temp.

−20°C

SMILES string

O=C([C@@H](NC(C1=CC=C(C(CC(N=C23)=CN=C3N=C(N=C2N)N)CC#C)C=C1)=O)CCC(O)=O)O

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

InChI key

OGSBUKJUDHAQEA-WMCAAGNKSA-N

Description

Biochem/physiol Actions

Potent DHFR inhibitor; antifolate; antineoplastic;

Pralatrexate is an antifolate that selectively enters cancer cells expressing reduced folate carrier type 1 (RFC-1). Pralatrexate potently inhibits DHFR (dihydrofolate reductase).

pictograms

GHS08

signalword

Warning

hcodes

H361fd

pcodes

P201 - P202 - P280 - P308 + P313 - P405 - P501

Hazard Classifications

Repr. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c