KLH45 | CAS#1632236-44-2 | DDHD2 inhibitor

MedKoo Cat#: 562277 | Name: KLH45

Description:

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

KLH45 is a potent and selective inhibitor of the lipid hydrolase DDHD2, with an IC₅₀ of 1.3 nM. It effectively blocks DDHD2 activity in cells and mouse brain, leading to elevated brain triglyceride levels. KLH45 is used as a research tool to study DDHD2’s role in lipid metabolism and neurodegenerative diseases.

Chemical Structure

KLH45

CAS#1632236-44-2

Theoretical Analysis

MedKoo Cat#: 562277

Name: KLH45

CAS#: 1632236-44-2

Chemical Formula: C24H25F3N4O2

Exact Mass: 458.1930

Molecular Weight: 458.49

Elemental Analysis: C, 62.87; H, 5.50; F, 12.43; N, 12.22; O, 6.98

Price and Availability

Size	Price	Availability
25mg	USD 250.00	2 Weeks
50mg	USD 450.00	2 Weeks
100mg	USD 750.00	2 Weeks
200mg	USD 1,250.00	2 Weeks
500mg	USD 2,250.00	2 Weeks
1g	USD 3,250.00	2 Weeks
2g	USD 5,450.00	2 Weeks

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Synonym

KLH45; KLH-45; KLH 45;

IUPAC/Chemical Name

N-Cyclohexyl-N-phenethyl-4-(4-(trifluoromethoxy)phenyl)-2H-1,2,3-triazole-2-carboxamide

InChi Key

FYOYNRLSBYWAHL-UHFFFAOYSA-N

InChi Code

InChI=1S/C24H25F3N4O2/c25-24(26,27)33-21-13-11-19(12-14-21)22-17-28-31(29-22)23(32)30(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2

SMILES Code

O=C(N1N=CC(C2=CC=C(OC(F)(F)F)C=C2)=N1)N(C3CCCCC3)CCC4=CC=CC=C4

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

>2 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

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

KLH45 is a potent and selective DDHD2 inhibitor, with an IC50 of 1.3 nM.

In vitro activity:

This study first confirmed inhibition of WT DDHD2 by treating transfected COS-7 cells with a concentration range of KLH45 (or KLH40) for 16 h, followed by ABPP with the DDHD2 probe HT-01 or the general serine hydrolase probe fluorophosphonate rhodamine (FP-Rh). This experiment revealed that KLH45, but not KLH40, selectively blocked DDHD2 activity, with complete inhibition being observed with 2 μM KLH45 (Figure S5). Reference: Biochemistry. 2018 Feb 6;57(5):827-838. https://pubmed.ncbi.nlm.nih.gov/29278326/

In vivo activity:

In contrast, mice treated twice daily with KLH45 (20 mg⋅kg−1; administered every 12 h) for a total of 4 d exhibited significant elevations in several of the TAGs that accumulated in the brains of DDHD2−/− mice (Fig. 5B and SI Appendix, Fig. S13B). Reference: Proc Natl Acad Sci U S A. 2014 Oct 14;111(41):14924-9. https://pubmed.ncbi.nlm.nih.gov/25267624/

	Solvent	mg/mL	mM
Solubility
	DMSO	30.0	65.43
	Ethanol	30.0	65.43

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 458.49 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

Formulation protocol:

1. Inloes JM, Kiosses WB, Wang H, Walther TC, Farese RV Jr, Cravatt BF. Functional Contribution of the Spastic Paraplegia-Related Triglyceride Hydrolase DDHD2 to the Formation and Content of Lipid Droplets. Biochemistry. 2018 Feb 6;57(5):827-838. doi: 10.1021/acs.biochem.7b01028. Epub 2017 Dec 26. PMID: 29278326; PMCID: PMC5854151.

In vitro protocol:

In vivo protocol:

1: Inloes JM, Hsu KL, Dix MM, Viader A, Masuda K, Takei T, Wood MR, Cravatt BF. The hereditary spastic paraplegia-related enzyme DDHD2 is a principal brain triglyceride lipase. Proc Natl Acad Sci U S A. 2014 Oct 14;111(41):14924-9. doi: 10.1073/pnas.1413706111. Epub 2014 Sep 29. PubMed PMID: 25267624; PubMed Central PMCID: PMC4205627.

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