KLH45
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 562277

CAS#: 1632236-44-2

Description: KLH45 is a selective inhibitor of DDHD2 (DDHD domain containing 2).

Chemical Structure

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KLH45
CAS# 1632236-44-2
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 562277
Name: KLH45
CAS#: 1632236-44-2
Chemical Formula: C24H25F3N4O2
Exact Mass: 458.19
Molecular Weight: 458.485
Elemental Analysis: C, 62.87; H, 5.50; F, 12.43; N, 12.22; O, 6.98

Price and Availability

Size Price Availability Quantity
25mg USD 250 2 Weeks
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2250 2 Weeks
1g USD 3250 2 Weeks
2g USD 5450 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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 30.0 65.43
Ethanol 30.0 65.43

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.

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: 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: 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 vivo 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.

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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.