Pteropterin monohydrate

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MedKoo CAT#: 597239

CAS#: 6164-84-7

Description: Pteropterin monohydrate is an antineoplastic.

Chemical Structure

Pteropterin monohydrate
CAS# 6164-84-7

Theoretical Analysis

MedKoo Cat#: 597239
Name: Pteropterin monohydrate
CAS#: 6164-84-7
Chemical Formula: C29H35N9O13
Exact Mass: 0.00
Molecular Weight: 717.640
Elemental Analysis: C, 48.54; H, 4.92; N, 17.57; O, 28.98

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 89-38-3 (free base)  

Synonym: Pteropterin monohydrate; Pteropterin, hydrate;

IUPAC/Chemical Name: ((S)-4-((S)-4-(4-(((2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl)amino)benzamido)-4-carboxybutanamido)-4-carboxybutanoyl)-L-glutamic acid hydrate


InChi Code: InChI=1S/C29H33N9O12.H2O/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42;/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44);1H2/t16-,17-,18-;/m0./s1

SMILES Code: O=C(O)CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)NC(C1=CC=C(NCC2=CN=C3NC(N)=NC(C3=N2)=O)C=C1)=O)=O)=O.[H]O[H]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 717.64 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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