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Dersimelagon , Melanocortin receptor 1 agonist, CAS No.1835256-48-8, Melanocortin receptor 1 agonist

COA

Cas Number: 1835256-48-8
Molecular Weight: 675.75
PubChem CID: 126736894

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Item Number

D650689

Grouped product items
SKU	Size	Availability	Price
D650689-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90
D650689-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$420.90
D650689-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$750.90
D650689-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,120.90

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Class A GPCR (4138) GPCR/G Protein (3172) Melanocortin Receptor (46) Neuronal Signaling (3320)

Basic Description

Synonyms	Dersimelagon \| WHO 10832 \| Dersimelagon [USAN:INN] \| MT-7117 \| SCHEMBL18686769 \| Dersimelagon [INN] \| AC-36942 \| DERSIMELAGON [WHO-DD] \| 1-(2-((3S,4R)-1-((3R,4R)-1-Cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin
Biochemical and Physiological Mechanisms	Dersimelagon (MT-7117) is an orally active, selective melanocortin 1 receptor ( MC1R ) agonist with EC 50 values of 8.16, 3.91, 1.14 and 0.251 nM for human (h), cynomolgus monkey (cm), mouse (m) and rat (r) MC1R , respectively. Dersimelagon shows good aff
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	AGONIST
Mechanism of action	Melanocortin receptor 1 agonist
Product Description	Dersimelagon (MT-7117) is an orally active, selective melanocortin 1 receptor ( MC1R ) agonist with EC 50 values of 8.16, 3.91, 1.14 and 0.251 nM for human (h), cynomolgus monkey (cm), mouse (m) and rat (r) MC1R , respectively. Dersimelagon shows good affinity for hMC1R and hMC4R with K i values of 2.26, 32.9 nM, respectively. Dersimelagon can be used for the research of skin pigmentation In Vitro Dersimelagon (0, 0.03, 0.1, 0.3, 1, 3, 10, 30, 100, 300 pM; 3 days) increases eumelanin production in a concentration-dependent manner, with EC 50 of 13 pM in B16F1 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Dersimelagon (0.003, 0.03, 0.3, 3 mg/kg; p.o. for 6 days) induces coat colour darkening in Ay/a mice in 0.3 and 3 mg/kg . Dersimelagon (0.03, 0.3, 3 mg/kg; p.o.; single administration) upregulates the expression of Tyr , Trp1 and Dct of Ay/a mice at 24, 48 and 72 h in the 3 mg/kg . Dersimelagon (1, 3, 10 mg/kg for 4 weeks and 30 mg/kg for 3 weeks; p.o.) induces pigmentation in a dose-dependent manner, and it is reverses after cessation of administration in cynomolgus monkeys . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Cynomolgus monkeys Dosage: 1, 3, 10, 30 mg/kg Administration: P.o.; 1, 3, 10 mg/kg for 4 weeks and 30 mg/kg for 3 weeks Result: Induced pigmentation in a dose-dependent manner. Minimum pigmentation effective dose was 1 mg/kg. Pigmentation diminished 4 weeks after cessation of treatment in the 1, 3 and 10 mg/kg groups and 16 weeks after cessation in the 30 mg/kg group. Form:Solid IC50& Target:hMC1R 2.26 nM (Ki) hMC4R 32.9 nM (Ki) hMC5R 486 nM (Ki) hMC3R 1420 nM (Ki) hMC1R 8.16 nM (EC 50 ) hMC4R 79.6 nM (EC 50 ) hMC2R >10000 nM (EC 50 ) rMC1R 0.251 nM (EC 50 ) mMC1R 1.14 nM (EC 50 ) cmMC1R 3.91 nM (EC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Phenylpyrrolidines Trifluoromethylbenzenes Piperidinecarboxylic acids Methoxyanilines Pyrrolidinecarboxamides Phenoxy compounds N-acylpyrrolidines Methoxybenzenes Dialkylarylamines Anisoles Amino fatty acids Alkyl aryl ethers N-alkylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Pyrroles Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - 3-phenylpyrrolidine - Trifluoromethylbenzene - Methoxyaniline - Piperidinecarboxylic acid - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - N-acylpyrrolidine - Anisole - Amino fatty acid - Alkyl aryl ether - Fatty acyl - Benzenoid - N-alkylpyrrolidine - N-acyl-amine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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

Names and Identifiers

IUPAC Name	1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
INCHI	InChI=1S/C36H45F4N3O5/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45)/t25-,30+,31+,35+/m1/
InChIKey	MUNWOYRHJPWQNE-GMFUQMJFSA-N
Smiles	COC[C@H]1CN(C[C@@H]1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)[C@@]4(CN(C[C@H]4C5=CC=C(C=C5)OC)C6CCCC6)F
Isomeric SMILES	COC[C@H]1CN(C[C@@H]1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)[C@@]4(CN(C[C@H]4C5=CC=C(C=C5)OC)C6CCCC6)F
PubChem CID	126736894
Molecular Weight	675.75

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	675.800 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	675.33 Da
Monoisotopic Mass	675.33 Da
Topological Polar Surface Area	82.600 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1110.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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