Mofarotene
Basic information
- CAS
125533-88-2- Standard SMILES
C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
OUQPTBCOEKUHBH-LSDHQDQOSA-N- Molecular formula
- C29H39NO2
- Average molar mass
- 433.6 g/mol
- Monoisotopic mass
- 433.29807949
Overview
Mofarotene is a small molecule drug. The usage of the INN stem '-arotene' in the name indicates that Mofarotene is a arotinoid derivative. Mofarotene has a monoisotopic molecular weight of 433.3 Da.
Names & identifiers
- Preferred name
- Mofarotene
- IUPAC
- 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
- English name
- Mofarotene
- Molecular formula
- C29H39NO2
- Molecular weight
- 433.632
Names & synonyms
Mofarotene125533-88-2mofaroteno8K3CVY8F8VRO408757RO 40-87574-((2-(p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl)phenoxy)ethyl))morpholineRo-40-8757arotinoid Ro 40-8757mofarotenunMofaronteneRefChem:159304
Show more names
(E)-4-(2-(4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)phenoxy)ethyl)morpholineMofarotene [INN]4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine4-(2-(p-((E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl)phenoxy)ethyl)morpholineUNII-8K3CVY8F8VMOFAROTENE [MI]SCHEMBL62905CHEMBL146506
Database identifiers
- CAS
125533-88-2- PubChem CID
- 5467732
- DTXSID
DTXSID7032006- ChEMBL
CHEMBL146506- UNII
- 8K3CVY8F8V
- Nikkaji
- J615.845E
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Melting point
- 107 · 107-109°
- FDA UNII
- 8 K3CVY8F8V · 8K3CVY8F8V
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
UsesMofarotene (Ro 40-8757), an arotinoid, is anticancer compound. Mofarotene induces apoptosis, associated with mitochondrial membrane depolarization, activation of caspase-3 and -9, and enhanced production of reactive oxygen species. Mofarotene inhibits hematopoiesis in vitro by inhibiting maturation from primitive progenitor cells[1][2][3].
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