KHN13758

    WARNING: This product is for research use only, not for human or veterinary use.

Hodoodo CAT#: H597212

CAS#: 111113-75-8

Description: KHN13758, also known as 5,6,7,8-Tetrahydro-8-deazahomofolic acid, is a potential inhibitors of thymidylate synthase (TS) and other folate related enzymes. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to Hodoodo Chemical Nomenclature (see web page: https://www.hodoodo.com/page/naming).

Chemical Structure

img
KHN13758
CAS# 111113-75-8
Instruction

Theoretical Analysis

Hodoodo Cat#: H597212
Name: KHN13758
CAS#: 111113-75-8
Chemical Formula: C21H26N6O6
Exact Mass: 458.19
Molecular Weight: 458.470
Elemental Analysis: C, 55.02; H, 5.72; N, 18.33; O, 20.94

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 @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: 5,6,7,8-Tetrahydro-8-deazahomofolic acid; 5,6,7,8-Tdfa; KHN13758; KHN-13758; KHN 13758;

IUPAC/Chemical Name: (4-((2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl)amino)benzoyl)-L-glutamic acid

InChi Key: KWOGIKPULGQYDN-HIFRSBDPSA-N

InChi Code: InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)/t13-,15+/m1/s1

SMILES Code: O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(NCC[C@H](N2)CCC(NC(N)=N3)=C2C3=O)C=C1)=O

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:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 458.47 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:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: DeGraw JI, Colwell WT, Brown VH, Sato M, Kisliuk RL, Gaumont Y, Thorndike J, Sirotnak FM. Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative. J Med Chem. 1988 Jan;31(1):150-3. PubMed PMID: 3121855.