KHN13758 | CAS#111113-75-8 | thymidylate synthase inhibitr

MedKoo Cat#: 597212 | Name: KHN13758

Description:

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

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 MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

KHN13758

CAS#111113-75-8

Theoretical Analysis

MedKoo Cat#: 597212

Name: KHN13758

CAS#: 111113-75-8

Chemical Formula: C21H26N6O6

Exact Mass: 458.1914

Molecular Weight: 458.47

Elemental Analysis: C, 55.02; H, 5.72; N, 18.33; O, 20.94

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

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

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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

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.