KML 29

Modify Date: 2026-07-01 19:07:50

KML 29 structure	Common Name	KML 29
	CAS Number	1380424-42-9	Molecular Weight	549.417
	Density	1.5±0.1 g/cm3	Boiling Point	554.8±50.0 °C at 760 mmHg
	Molecular Formula	C₂₄H₂₁F₆NO₇	Melting Point	N/A
	MSDS	N/A	Flash Point	289.3±30.1 °C

Use of KML 29

KML29 is a potent and selective MAGL inhibitor with IC50 = 5.9, 15, and 43 nM in human, mouse, and rat brain proteomes, respectively.IC50 value: 15, 43, and 5.9 nM (mouse, rat, and human brain proteomes)Target: MAGLin vitro: KML29 potently and selectively inhibits MAGL with minimal cross-reactivity toward other central and peripheral serine hydrolases, including no detectable activity against FAAH.[1]in vivo: KML29 a potentially very useful tool to explore the consequences of inhibiting MAGL in the whole animal and in multiple species, and provides greater selectivity than JZL184 in inhibiting MAGL. [2]

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	KML29 is a potent and selective MAGL inhibitor with IC50 = 5.9, 15, and 43 nM in human, mouse, and rat brain proteomes, respectively.IC50 value: 15, 43, and 5.9 nM (mouse, rat, and human brain proteomes)Target: MAGLin vitro: KML29 potently and selectively inhibits MAGL with minimal cross-reactivity toward other central and peripheral serine hydrolases, including no detectable activity against FAAH.[1]in vivo: KML29 a potentially very useful tool to explore the consequences of inhibiting MAGL in the whole animal and in multiple species, and provides greater selectivity than JZL184 in inhibiting MAGL. [2]
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> MAGL Research Areas >> Metabolic Disease
References	[1]. Chang JW, et al. Highly selective inhibitors of monoacylglycerol lipase bearing a reactive group that is bioisosteric with endocannabinoid substrates. Chem Biol. 2012 May 25;19(5):579-588. [2]. Ignatowska-Jankowska BM,et al. In vivo characterization of the highly selective monoacylglycerol lipase inhibitor KML29: antinociceptive activity without cannabimimetic side effects. Br J Pharmacol. 2014 Mar;171(6):1392-1407.

Description

Related Catalog

Signaling Pathways >> Metabolic Enzyme/Protease >> MAGL

Research Areas >> Metabolic Disease

References

[1]. Chang JW, et al. Highly selective inhibitors of monoacylglycerol lipase bearing a reactive group that is bioisosteric with endocannabinoid substrates. Chem Biol. 2012 May 25;19(5):579-588.

[2]. Ignatowska-Jankowska BM,et al. In vivo characterization of the highly selective monoacylglycerol lipase inhibitor KML29: antinociceptive activity without cannabimimetic side effects. Br J Pharmacol. 2014 Mar;171(6):1392-1407.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.5±0.1 g/cm3
Boiling Point	554.8±50.0 °C at 760 mmHg
Molecular Formula	C₂₄H₂₁F₆NO₇
Molecular Weight	549.417
Flash Point	289.3±30.1 °C
Exact Mass	549.122192
PSA	86.69000
LogP	6.05
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.544
InChIKey	SXHQLPHDBLTFPM-UHFFFAOYSA-N
SMILES	O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
Storage condition	2-8℃

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 5
CAS#:32315-10-9 Triphosgene CAS#:920-66-1 Hexafluoroisopr... CAS#:1446818-43-4 bis(benzo[d][1,... CAS#:2635-13-4 5-Bromo-1,3-ben...
CAS#:142851-03-4 Ethyl N-Boc-pip...
DownStream 0

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins
Source: ChEMBL
Target: Monoglyceride lipase
External Id: CHEMBL4424599

Name: Enzymatic assay of human HDAC6 with commercial peptide substrate
Source: ChEMBL
Target: Histone deacetylase 6
External Id: CHEMBL4808149

Name: Enzymatic assay of human HDAC6 with custom peptide substrate
Source: ChEMBL
Target: Histone deacetylase 6
External Id: CHEMBL4808150

Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082

Name: In Vitro Competitive Activity-Based Protein Assay from US Patent US9133148: "Carbamat...
Source: BindingDB
Target: N/A
External Id: BindingDB_7190_1

Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303805

Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582

Total 7, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1,1,1,3,3,3-hexafluoroprop-2-yl acrylate

1,1,1,3,3,3-hexafluoropropan-2-yl acrylate

Acrylic Acid 1,1,1,3,3,3-Hexafluoroisopropyl Ester

1-Piperidinecarboxylic acid, 4-[bis(1,3-benzodioxol-5-yl)hydroxymethyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

hexafluoro-2-propyl acrylate

Hexafluoroisopropyl acrylate

1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hydroxy)methyl]-1-piperidinecarboxylate

1,1,1,3,3,3-hexafluoroisopropylacrylate

KML-29

KML29

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the storage conditions for 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Storage conditions for 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate: 2-8℃.

Q: What are the upstream materials of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Related upstream materials(CAS) of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate: 32315-10-9;920-66-1;1446818-43-4;2635-13-4;142851-03-4.

Q: What is the SMILES notation of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: SMILES notation of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1.

Q: What is the polar surface area (PSA) of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Polar surface area (PSA) of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is 86.69000.

Q: What is the molecular formula of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Molecular formula of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is C24H21F6NO7.

Q: What is the InChIKey of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: InChIKey of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is SXHQLPHDBLTFPM-UHFFFAOYSA-N.

Q: What is the molecular weight of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Molecular weight of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is 549.417.

Q: What is the English name of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: The English name of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate.

Q: What is the boiling point of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate?

A: Boiling point of 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate is 554.8±50.0 °C at 760 mmHg.

Q: What is the Chinese name of 1380424-42-9?

A: Chinese name of 1380424-42-9 is KML29.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: KML-29
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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Price: $73/10mM*1mLinDMSO

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