Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)

Modify Date: 2026-02-28 12:31:26

Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio) structure	Common Name	Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)
	CAS Number	6505-98-2	Molecular Weight	392.47100
	Density	1.48g/cm3	Boiling Point	624.6ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₇FN₄O₂S₂	Melting Point	N/A
	MSDS	USA	Flash Point	331.6ºC

Name	8-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Density	1.48g/cm3
Boiling Point	624.6ºC at 760 mmHg
Molecular Formula	C₁₇H₁₇FN₄O₂S₂
Molecular Weight	392.47100
Flash Point	331.6ºC
Exact Mass	392.07800
PSA	130.07000
LogP	3.22390
Index of Refraction	1.693
InChIKey	BEBDNAPSDUYCHM-UHFFFAOYSA-N
SMILES	Cn1c(=S)c2[nH]c(SCCCC(=O)c3ccc(F)cc3)nc2n(C)c1=O

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EU4745000

CHEMICAL NAME :: Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-t hionopurin-8-ylthio)-

CAS REGISTRY NUMBER :: 6505-98-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H17-F-N4-O2-S2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04454

RIDADR	NONH for all modes of transport

A noncompetitive small molecule inhibitor of estrogen-regulated gene expression and breast cancer cell growth that enhances proteasome-dependent degradation of estrogen receptor {alpha}.

J. Biol. Chem. 285(53) , 41863-73, (2010)

The mechanisms responsible for 17β-estradiol (E(2))-stimulated breast cancer growth and development of resistance to tamoxifen and other estrogen receptor α (ERα) antagonists are not fully understood....

A new small molecule inhibitor of estrogen receptor alpha binding to estrogen response elements blocks estrogen-dependent growth of cancer cells.

J. Biol. Chem. 283 , 12819-12830, (2008)

Estrogen receptor alpha (ERalpha) plays an important role in several human cancers. Most current ERalpha antagonists bind in the receptor ligand binding pocket and compete for binding with estrogenic ...

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

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Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Articles2

Bioassay

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.