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Palovarotene 1mg

CAT: 0628-A12430-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12430-1Size:1 mg
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CAS Number
410528-02-8

Chemical Information

Palovarotene

Palovarotene is an olefinic compound that is ethene is which a hydrogen at position 1 is replaced by a 4-carboxyphenyl group and a hydrogen at position 2 is replaced by a 5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl group (the E-stereoisomer). It is a selective retinoic acid receptor gamma (RARgamma) agonist developed by Ipsen, to reduce the formation of new heterotopic ossification in adults and children with fibrodysplasia ossificans progressiva (FOP), a rare bone disorder. It has a role as a retinoic acid receptor gamma agonist. It is a member of benzoic acids, a member of pyrazoles, a stilbenoid, a member of tetralins and an olefinic compound.

CAS Number410528-02-8
PubChem CID10295295
IUPAC Name4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
Molecular FormulaC27H30N2O2
Molecular Weight414.5
XLogP6.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity662
SMILES
CC1(CCC(C2=C1C=C(C(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C
InChI
InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
InChIKey
YTFHCXIPDIHOIA-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Palovarotene
CAS: 410528-02-8
CID: 10295295
Formula: C27H30N2O2
MW: 414.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass414.230728204
Monoisotopic Mass414.230728204
Topological Polar Surface Area55.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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