InterPAD - DETAILS

4-Hydroxytamoxifen, Afimoxifene, 68047-06-3, (Z)-4-Hydroxytamoxifen, Hydroxytamoxifen, 4-Monohydroxytamoxifen, Tamogel, trans-4-Hydroxytamoxifen, 68392-35-8, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, 65213-48-1, (E/Z)-4-Hydroxytamoxifen, 4-OHT, (Z)-4-Hydroxy Tamoxifen, Z-4-hydroxytamoxifen, 1077-29-8, C26H29NO2, 4-Hydroxy Tamoxifen, CHEMBL489, R-LIPOIC ACID POTASSIUM COMPUND, TAMOXIFEN, 4-HYDROXY-, (Z)-, MLS000069742, DTXSID7022384, CHEBI:44616, 95K54647BZ, SMR000058939, 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol, 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol, Ici 79280, [3H]4-OHT, 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol, SR-01000759243, Afimoxifene [USAN:INN], ICI 79,280, BRN 4910749, UNII-17197F0KYM, CCRIS 8580, UNII-95K54647BZ, (Z)-4-OHT, 4-[(1z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenol, 4-OH tamoxifen, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)-phenyl)-2-phenylbut-1-en-1-yl)phenol, Tamogel (TN), 2bj4, Opera_ID_600, Afimoxifene (USAN/INN), 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-,, trans-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, SCHEMBL9189, BIDD:PXR0104, AFIMOXIFENE, Z-ISOMER, MLS001077346, BIDD:ER0193, 4-(1-[4-(Dimethylaminoethoxy)phenyl]-2-phenyl-1-butenyl)phenol, cid_449459, DTXCID802384, BDBM20608, 17197F0KYM, GLXC-26379, HMS2231F20, EX-A4661, Tox21_200943, HB2508, HB6040, HB6095, HSCI1_000353, HY-16950A, ICI-79280, MFCD00278780, MFCD00468090, s8956, (Z)-4-Hydroxytamoxifen (Z-4-OHT), 4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenol, AKOS016010361, DB04468, Phenol, 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (Z)-, NCGC00164399-01, NCGC00164399-02, NCGC00258497-01, MS-26417, (Z)-4-Hydroxytamoxifen, >=98% Z isomer, CAS-68047-06-3, CS-0003592, NS00068435, C05011, D06551, A904472, Q4689254, SR-01000759243-3, SR-01000759243-5, BRD-K04210847-001-01-1, 98% pound E pound masculineZ isomers=50:50 pound(c), 4-Hydroxytamoxifen ≥70% Z isomer (remainder primarily E-isomer), (Z)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, 4-{(1Z)-1-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol

Name	4-hydroxytamoxifen
PubChem CID	449459
Molecular Weight	387.5g/mol
Synonyms	4-Hydroxytamoxifen, Afimoxifene, 68047-06-3, (Z)-4-Hydroxytamoxifen, Hydroxytamoxifen, 4-Monohydroxytamoxifen, Tamogel, trans-4-Hydroxytamoxifen, 68392-35-8, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, 65213-48-1, (E/Z)-4-Hydroxytamoxifen, 4-OHT, (Z)-4-Hydroxy Tamoxifen, Z-4-hydroxytamoxifen, 1077-29-8, C26H29NO2, 4-Hydroxy Tamoxifen, CHEMBL489, R-LIPOIC ACID POTASSIUM COMPUND, TAMOXIFEN, 4-HYDROXY-, (Z)-, MLS000069742, DTXSID7022384, CHEBI:44616, 95K54647BZ, SMR000058939, 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol, 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol, Ici 79280, [3H]4-OHT, 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol, SR-01000759243, Afimoxifene [USAN:INN], ICI 79,280, BRN 4910749, UNII-17197F0KYM, CCRIS 8580, UNII-95K54647BZ, (Z)-4-OHT, 4-[(1z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenol, 4-OH tamoxifen, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)-phenyl)-2-phenylbut-1-en-1-yl)phenol, Tamogel (TN), 2bj4, Opera_ID_600, Afimoxifene (USAN/INN), 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-,, trans-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, SCHEMBL9189, BIDD:PXR0104, AFIMOXIFENE, Z-ISOMER, MLS001077346, BIDD:ER0193, 4-(1-[4-(Dimethylaminoethoxy)phenyl]-2-phenyl-1-butenyl)phenol, cid_449459, DTXCID802384, BDBM20608, 17197F0KYM, GLXC-26379, HMS2231F20, EX-A4661, Tox21_200943, HB2508, HB6040, HB6095, HSCI1_000353, HY-16950A, ICI-79280, MFCD00278780, MFCD00468090, s8956, (Z)-4-Hydroxytamoxifen (Z-4-OHT), 4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenol, AKOS016010361, DB04468, Phenol, 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (Z)-, NCGC00164399-01, NCGC00164399-02, NCGC00258497-01, MS-26417, (Z)-4-Hydroxytamoxifen, >=98% Z isomer, CAS-68047-06-3, CS-0003592, NS00068435, C05011, D06551, A904472, Q4689254, SR-01000759243-3, SR-01000759243-5, BRD-K04210847-001-01-1, 98% pound E pound masculineZ isomers=50:50 pound(c), 4-Hydroxytamoxifen ≥70% Z isomer (remainder primarily E-isomer), (Z)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, 4-{(1Z)-1-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl}phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol
Drug Type	Small molecule
Formula	C₂₆H₂₉NO₂
SMILES	CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
InChI	1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey	TXUZVZSFRXZGTL-QPLCGJKRSA-N
CAS Number	68047-06-3
ChEMBL ID	CHEMBL489
ChEBI ID	CHEBI:44616
Drug Bank ID	DB04468
KEGG ID	C05011
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	Shikonin, 4-hydroxytamoxifen
Partner Name	Shikonin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	AKT1	hsa207
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Down-regulation	Expression	BID	hsa637
	Up-regulation	Cleavage	CASP3	hsa836
	Up-regulation	Cleavage	CASP8	hsa841
	Up-regulation	Cleavage	CASP9	hsa842
	Up-regulation	Expression	DIABLO	hsa56616
	Up-regulation	Expression	FAS	hsa355
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	PIK3CA	hsa5290
	Up-regulation	Expression	ROS1	hsa6098
In Vitro Model	MCF-7	Invasive breast carcinoma of no special type	Homo sapiens (Human)	CVCL_0031
In Vitro Model	MDA-MB-435S	Amelanotic melanoma	Homo sapiens (Human)	CVCL_0622
In Vivo Model	Portions of the suspension (6×10⁶ cells in 0.1 mL) were subcutaneously injected into the right flanks of each mouse.
Result	The combination of SK and 4-OHT shows highly efficient anticancer effects on breast cancer therapy. SK may be a promising candidate as an adjuvant to 4-OHT for breast cancer treatments, especially for ER- breast cancer.