SNT-207858 free base - ≥99% , CAS No.1104662-66-9

CAS: 1104662-66-9 Cat. No.: S647413 Molecular Weight: 616.62 PubChem CID: 42630200

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SNT207858 free base is a selective, blood brain barrier penetrating, potent and orally active melanocortin-4 ( MC-4 ) receptor antagonist. SNT207858 free base has an IC 50 of 22 nM (binding) and 11 nM (function) on the MC-4 receptor

In Vitro

SNT207858 binds to the MC-4 receptor with an affinity of 22 nM and shows a 170-fold selectivity vs. MC-3 and a 40-fold selectivity vs. MC-5. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SNT207858 (30 mg/kg; oral administration; once daily; 15 days) significantly reduces the tumor induced weight loss in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Mice with C26 adenocarcinoma-induced cachexia model Dosage: 30 mg/kg Administration: Oral administration; once daily; 15 days Result: Significantly reduced the tumor induced weight loss.

Form:Solid

IC50& Target:MC-4 receptor

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

SNT207858 free base is a selective, blood brain barrier penetrating, potent and orally active melanocortin-4 ( MC-4 ) receptor antagonist. SNT207858 free base has an IC 50 of 22 nM (binding) and 11 nM (function) on the MC-4 receptor.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCC(COC1=C(N=CC=C1)C2CCN(CC2)C(=O)C(CC3=C(C=C(C=C3)Cl)Cl)NC(=O)N4CCCC4)N5CCCC5
• IUPAC Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]pyridin-2-yl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
• InChIKey: GNSVFEJLUPMLCZ-IXCJQBJRSA-N
• INCHI: 1S/C32H43Cl2N5O3/c1-2-26(37-14-3-4-15-37)22-42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41)/t26-,28-/m1/s1
• Isomeric SMILES: CC[C@H](COC1=C(N=CC=C1)C2CCN(CC2)C(=O)[C@@H](CC3=C(C=C(C=C3)Cl)Cl)NC(=O)N4CCCC4)N5CCCC5
• PubChem CID: 42630200
• Molecular Weight: 616.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-carbamoyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-carbamoyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid amides Amphetamines and derivatives N-acylpiperidines Pyrrolidinecarboxamides Polyhalopyridines O-alkylpyrimidines Methylpyridines Chlorobenzenes Alkyl aryl ethers 2-halopyridines N-alkylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Organic carbonic acids and derivatives Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - N-acyl-piperidine - O-alkylpyrimidine - Polyhalopyridine - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - 2-halopyridine - Methylpyridine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Pyridine - Piperidine - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Ether - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (162.17 mM; Need ultrasonic)
• Molecular Weight: 616.600 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 615.274 Da
• Monoisotopic Mass: 615.274 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 863.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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