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4-Hydroxytamoxifen

4-Hydroxytamoxifen structure

CAS No:
68047-06-3
Formula:
C26H29NO2
Chemical Name:
4-Hydroxytamoxifen
Synonyms:
Phenol,4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-;Phenol,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-,(Z)-;Phenol,4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-;4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol;Hydroxytamoxifen;4-Hydroxytamoxifen;ICI 79280;trans-Hydroxytamoxifen;trans-4-Hydroxytamoxifen;(Z)-4-Hydroxytamoxifen;4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol;4-Hydroxy-(Z)-tamoxifen;(Z)-4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenylbut-1-en-1-yl]phenol;65213-48-1;72732-26-4;76276-99-8
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

4-Hydroxytamoxifen is a selective estrogen receptor modulator (SERM).

Afimoxifene is a tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. It has a role as an antineoplastic agent, an estrogen receptor antagonist and a metabolite. It is a tertiary amino compound and a member of phenols. It derives from a tamoxifen.|Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percutaneous delivery of drugs that cannot be delivered orally. It is being developed by Ascent Therapeutics.

4-Hydroxytamoxifen Basic Attributes

Molecular Weight：

387.51

Exact Mass：

387.51

UNII：

95K54647BZ

DSSTox ID：

DTXSID7022384|DTXSID3037094

Characteristics

PSA：

32.70000

XLogP3：

7.34

Appearance：

white powder

Density：

1.1±0.1 g/cm3

Melting Point：

105-107°C

Boiling Point：

514.4±50.0 °C at 760 mmHg

Flash Point：

264.9±30.1 °C

Refractive Index：

1.597

Water Solubility：

95% ethanol: 20 mg/mL

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-63

safety instructions：

22-23-36

RTECS Number：

SL1210000

Marks：

Stability/Shelf Life：

Stable. Store cool. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332-H361

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

For the potential treatment of menstrual-cycle related mastalgia, fibrocystic breast disease, breast disease, gynecomastia and Keloid scarring.

MeSH：

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)|A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63) (See all compounds classified as Selective Estrogen Receptor Modulators.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Absorption：

Absorbed following topical application.

Metabolism/Metabolites：

4-Hydroxytamoxifen has known human metabolites that include 3,4-Dihydroxy-Tamoxifen, Endoxifen, Tamoxifen 4-O-glucuronide, and Tamoxifen 4-O-sulfate.

Mechanism of Action：

Afimoxifene binds to estrogen receptors (ER), inducing a conformational change in the receptor. This results in a blockage or change in the expression of estrogen dependent genes.

MeSH Entry Terms：

4'-hydroxytamoxifen

4-Hydroxytamoxifen Use and Manufacturing

tamoxifen metabolite, anti-estrogen, see Tamoxifen 1,01038

Computed Properties

Molecular Weight:387.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:387.219829168
Monoisotopic Mass:387.219829168
Topological Polar Surface Area:32.7
Heavy Atom Count:29
Complexity:493
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Hydroxytamoxifen

CAS No.: 68047-06-3

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