MK-0773 - ≥99% , CAS No.606101-58-0

CAS: 606101-58-0 Cat. No.: M126086 Molecular Weight: 479.59

GRADE & PURITY ≥99%

Synonyms

(1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide | Q27261459 | MS-28922 | N-(3H-IMIDAZO(4,5-B)PYRIDIN-2-YLMETHYL)-2-FLUORO-4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(1S, 3aS, 3bS, 5aR, 9aS, 9bS, 11aS)-8-fluoro-N-(1H-imidazo[4, 5-b]pyridin-2-ylmethyl)-6, 9a, 11a-trimethyl-7-oxo-2, 3, 3a, 3b, 4, 5, 5a, 9b, 10, 11-decahydro-1H-indeno[5, 4-f]quinoline-1-carboxamide | Q27261459 | MS-28922 | N-(3H-IMIDAZO(4, 5-B)PYRIDIN-2-YLMETHYL)-2-FLUORO-4

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Description:
IC50 Value: 6.6 nM [1]
MK-0773, one of Selective androgen receptor modulators (SARMs), is a 4-aza-steroid that exhibited tissue selectivity in humans.
in vitro:  The IC50 of MK-0773 binding to AR was incre

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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6C3(C=C(C(=O)N6C)F)C
• IUPAC Name: (1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• InChIKey: GBEUKTWTUSPHEE-JWJWXJQQSA-N
• INCHI: 1S/C27H34FN5O2/c1-26-11-10-17-15(6-9-21-27(17,2)13-19(28)25(35)33(21)3)16(26)7-8-18(26)24(34)30-14-22-31-20-5-4-12-29-23(20)32-22/h4-5,12-13,15-18,21H,6-11,14H2,1-3H3,(H,30,34)(H,29,31,32)/t15-,16-,17-,18+,21+,26-,27+/m0/s1
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
• Molecular Weight: 479.59
• Reaxy-Rn: 30311184
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30311184&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Androstane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androgens and derivatives
• Alternative Parents: 3-oxo-4-azasteroids 3-oxo-5-alpha-steroids Halogenated steroids 4-azasteroids and derivatives Imidazopyridines Pyridines and derivatives Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Vinyl fluorides Azacyclic compounds Fluoroalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Androgen-skeleton - 3-oxosteroid - Oxosteroid - 2-halo-steroid - Halo-steroid - 3-oxo-4-azasteroid - 3-oxo-5-alpha-steroid - 4-azasteroid - Azasteroid - Imidazopyridine - Pyridine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Imidazole - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Fluoroalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl fluoride - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
• 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 479.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 479.27 Da
• Monoisotopic Mass: 479.27 Da
• Topological Polar Surface Area: 91.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 927.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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