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Lasofoxifene Tartrate

CAT: 0127-BUP06243-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06243-01Size:5 mg
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CAS Number
190791-29-8
Synonyms
CP-336156
Purity
=98%
Smiles
O[C@@H]([C@H](O)C(O)=O)C(O)=O.Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1

Chemical Information

Lasofoxifene tartrate

Lasofoxifene Tartrate is the tartrate salt form of lasofoxifene, a non-steroidal, naphthalene-derived, third-generation selective estrogen receptor modulator (SERM) with potential antineoplastic and anti-osteoporotic activities. Upon oral administration, lasofoxifene selectively binds to both estrogen receptor alpha (ERalpha; ESR1) and estrogen receptor beta (ERbeta; ESR2) with high affinity and mimics the effects of endogenous estradiol with varying agonist and antagonist effects in ER-expressing tissues. Blockade of ERalpha by lasofoxifene may potentially inhibit estrogen-dependent cancer cell proliferation in ER-expressing cancers. Lasofoxifene may also bind to the certain mutant forms of ERalpha, including the Y537S ESR1 mutant, making it potentially useful in the treatment of tumors that have acquired resistance to other ER-targeting agents.

CAS Number190791-29-8
PubChem CID3081919
IUPAC Name(2S,3S)-2,3-dihydroxybutanedioic acid;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular FormulaC32H37NO8
Molecular Weight563.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity667
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C28H31NO2.C4H6O6/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;5-1(3(7)8)2(6)4(9)10/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1-2,5-6H,(H,7,8)(H,9,10)/t26-,28+;1-,2-/m10/s1
InChIKey
INEHJXCWEVNEDZ-LUDNRVPPSA-N
Chemical Structure
2D Structure
2D structure of Lasofoxifene tartrate
CAS: 190791-29-8
CID: 3081919
Formula: C32H37NO8
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass563.25191714
Monoisotopic Mass563.25191714
Topological Polar Surface Area148 Ų
Heavy Atom Count41
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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