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N-Ethyl-p-menthane-3-carboxamide - 10mM in DMSO, high purity , CAS No.39711-79-0

1 Citations

COA

Grade & Purity:

10mM in DMSO

Cas Number: 39711-79-0
Molecular Weight: 211.34
EC Number: 254-599-0
PubChem CID: 62907

In stock

Item Number

N423824

Grouped product items
SKU	Size	Availability	Price	Qty
N423824-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

TRPM8 agonist; cooling agent

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Compound libraries (12325) Ion channel (2197) Metabolite (5307)

Basic Description

Synonyms	39711-79-0 \| N-Ethyl-p-menthane-3-carboxamide \| N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide \| Ethyl menthane carboxamide \| WS 3 \| N-Ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide \| Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)- \| FEMA No. 3455 \| N
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Cooling agent that is an agonist at TRPM8 receptors (EC50= 3.7μM).
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide is a food additive.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Menthane monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-menthane monoterpenoid - Monocyclic monoterpenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (0 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
INCHI	InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKey	VUNOFAIHSALQQH-UHFFFAOYSA-N
Smiles	CCNC(=O)C1CC(CCC1C(C)C)C
Isomeric SMILES	CCNC(=O)C1CC(CCC1C(C)C)C
WGK Germany	2
Molecular Weight	211.34
Reaxy-Rn	2093252
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093252&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	-52 ° (C=1, MeOH)
Melt Point(°C)	91-98°C
Molecular Weight	211.340 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	211.194 Da
Monoisotopic Mass	211.194 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

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