Fulvestrant, min.98% (HPLC)

Name: Fulvestrant
Brand: Chempure

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CAS Number

129453-61-8

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IUPAC name	(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
inchi	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
inchi key	VWUXBMIQPBEWFH-WCCTWKNTSA-N
molecular formula	C32H47F5O3S
synonyms	Fulvestrant 129453-61-8 Faslodex ICI 182,780 Ici 182780
Compound Description	Fulvestrant is a 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. It has a role as an antineoplastic agent, an estrogen receptor antagonist and an estrogen antagonist. It is a 3-hydroxy steroid, a 17beta-hydroxy steroid, an organofluorine compound and a sulfoxide. It derives from a hydride of an estrane. Fulvestrant is a drug treatment of hormone receptor -positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrogen receptor. While it is used as monotherapy for the treatment of breast cancers, it is also used in combination with [alpelisib] for the treatment of HR-positive, human epidermal growth factor receptor 2 -negative, PIK3CA-mutated, advanced or metastatic breast cancer Fulvestrant is an Estrogen Receptor Antagonist. The mechanism of action of fulvestrant is as an Estrogen Receptor Antagonist, and Selective Estrogen Receptor Modulator. Fulvestrant is a steroidal antiestrogen that is used in the treatment of hormone-receptor positive metastatic breast cancer. Fulvestrant therapy can be associated with serum enzyme elevations, but has yet to be linked to instances of clinically apparent acute liver injury in the published literature. Fulvestrant is a synthetic estrogen receptor antagonist. Unlike tamoxifen and the aromatase inhibitors , fulvestrant binds competitively to estrogen receptors in breast cancer cells, resulting in estrogen receptor deformation and decreased estrogen binding. In vitro studies indicate that fulvestrant reversibly inhibits the growth of tamoxifen-resistant, estrogen-sensitive, human breast cancer cell lines. FULVESTRANT is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 2002 and has 6 approved and 30 investigational indications. An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.

Computed Properties

Molecular Weight:	606.8 g/mol
XLogP3:	9.2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	14
Exact Mass:	606.31660734 g/mol
Monoisotopic Mass:	606.31660734 g/mol
Topological Polar Surface Area:	76.7 Å²
Heavy Atom Count:	41
Formal Charge:	0
Complexity:	854
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	6
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (18.8%) Eye Irrit. 2 (12.5%) Repr. 1B (75%) Lact. (68.8%) STOT RE 2 (18.8%) Aquatic Acute 1 (18.8%) Aquatic Chronic 1 (43.8%) Aquatic Chronic 4 (31.2%)
precautionary statement codes	P203, P260, P263, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P391, P405, and P501
hazard statements	H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (75%): May damage fertility or the unborn child [Danger Reproductive toxicity] H362 (68.8%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H373 (18.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (18.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (43.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (31.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

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IUPAC name	(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
inchi	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
inchi key	VWUXBMIQPBEWFH-WCCTWKNTSA-N
molecular formula	C32H47F5O3S
synonyms	Fulvestrant 129453-61-8 Faslodex ICI 182,780 Ici 182780
Compound Description	Fulvestrant is a 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. It has a role as an antineoplastic agent, an estrogen receptor antagonist and an estrogen antagonist. It is a 3-hydroxy steroid, a 17beta-hydroxy steroid, an organofluorine compound and a sulfoxide. It derives from a hydride of an estrane. Fulvestrant is a drug treatment of hormone receptor -positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrogen receptor. While it is used as monotherapy for the treatment of breast cancers, it is also used in combination with [alpelisib] for the treatment of HR-positive, human epidermal growth factor receptor 2 -negative, PIK3CA-mutated, advanced or metastatic breast cancer Fulvestrant is an Estrogen Receptor Antagonist. The mechanism of action of fulvestrant is as an Estrogen Receptor Antagonist, and Selective Estrogen Receptor Modulator. Fulvestrant is a steroidal antiestrogen that is used in the treatment of hormone-receptor positive metastatic breast cancer. Fulvestrant therapy can be associated with serum enzyme elevations, but has yet to be linked to instances of clinically apparent acute liver injury in the published literature. Fulvestrant is a synthetic estrogen receptor antagonist. Unlike tamoxifen and the aromatase inhibitors , fulvestrant binds competitively to estrogen receptors in breast cancer cells, resulting in estrogen receptor deformation and decreased estrogen binding. In vitro studies indicate that fulvestrant reversibly inhibits the growth of tamoxifen-resistant, estrogen-sensitive, human breast cancer cell lines. FULVESTRANT is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 2002 and has 6 approved and 30 investigational indications. An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.

Computed Properties

Molecular Weight:	606.8 g/mol
XLogP3:	9.2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	14
Exact Mass:	606.31660734 g/mol
Monoisotopic Mass:	606.31660734 g/mol
Topological Polar Surface Area:	76.7 Å²
Heavy Atom Count:	41
Formal Charge:	0
Complexity:	854
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	6
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (18.8%) Eye Irrit. 2 (12.5%) Repr. 1B (75%) Lact. (68.8%) STOT RE 2 (18.8%) Aquatic Acute 1 (18.8%) Aquatic Chronic 1 (43.8%) Aquatic Chronic 4 (31.2%)
precautionary statement codes	P203, P260, P263, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P391, P405, and P501
hazard statements	H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (75%): May damage fertility or the unborn child [Danger Reproductive toxicity] H362 (68.8%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H373 (18.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (18.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (43.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (31.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Product No: DT8472

Fulvestrant, min.98% (HPLC)

Product No: DT8472

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

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Product No: DT8472

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?