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Palovarotene

CAT: 0572-TRC-P165900-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P165900-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
410528-02-8
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(=O)O)c(Cn4cccn4)cc12
Molecular Formula
C27 H30 N2 O2
Molecular Weight
414.54
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+
Additionnal Information
IUPAC name: 4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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
Loading 3D structure...
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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A12430-25Palovarotene 25mg

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