CAS 179545-77-8|Tanomastat

Introduction：Basic information about CAS 179545-77-8|Tanomastat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Tanomastat BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Tanomastat
CAS Number	179545-77-8	Molecular Weight	410.91300
Density	1.33g/cm3	Boiling Point	620.1ºC at 760 mmHg
Molecular Formula	C₂₃H₁₉ClO₃S	Melting Point	110-110.5ºC
MSDS	/	Flash Point	328.8ºC

Names

Name	Tanomastat
Synonym	More Synonyms

Tanomastat BiologicalActivity

Description	Tanomastat (BAY 12-9566) is an orally bioavailable, non-peptidic biphenyl matrix metalloproteinases (MMPs) inhibitor with a Zn-binding carboxyl group. The Ki values are 11, 143, 301, and 1470 nM for MMP-2, MMP-3, MMP-9, MMP-13 respectively. Tanomastat shows anti-invasive and antimetastatic activity in several experimental tumor models[1][2][3].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>MMP
Target	MMP-2:11 nM (Ki) MMP-3:143 nM (Ki) MMP-9:301 nM (Ki) MMP-13:1470 nM (Ki)
In Vitro	Tanomastat (BAY 12-9566) (1-10000 nM; 6 hours) prevents matrix invasion by endothelial cells in a concentration-dependent manner (IC50=840 nM), without affecting cell proliferation[2]. Tanomastat (BAY 12-9566) (1-00 µM; 5 days) inhibits tubule formation completely at 15-100 µM[3].
In Vivo	Tanomastat (BAY 12-9566) (100 mg/kg; p.o.; daily for a 7-week period) inhibits local tumor regrowth without causing any toxic effect, and inhibits the number and volume of lung metastases[3]. Animal Model: Six- to eight-week-old female BALB/c nude mice (bearing MDA-MB-435 cells)[3] Dosage: 100 mg/kg Administration: p.o.; daily for a 7-week period Result: Inhibited local tumor regrowth by 58% without causing any toxic effect, and inhibited the number and volume of lung metastases by 57 and 88%, respectively.
References	[1]. Leung D, et al. Protease inhibitors: current status and future prospects. J Med Chem. 2000 Feb 10;43(3):305-41. [2]. Gatto C, et al. BAY 12-9566, a novel inhibitor of matrix metalloproteinases with antiangiogenic activity. Clin Cancer Res. 1999 Nov;5(11):3603-7. [3]. Nozaki S, et al. Activity of biphenyl matrix metalloproteinase inhibitor BAY 12-9566 in a human breast cancerorthotopic model. Clin Exp Metastasis. 2003;20(5):407-12.

Chemical & Physical Properties

Density	1.33g/cm3
Boiling Point	620.1ºC at 760 mmHg
Melting Point	110-110.5ºC
Molecular Formula	C₂₃H₁₉ClO₃S
Molecular Weight	410.91300
Flash Point	328.8ºC
Exact Mass	410.07400
PSA	79.67000
LogP	6.07290
Vapour Pressure	3.07E-16mmHg at 25°C
Index of Refraction	1.662
InChIKey	JXAGDPXECXQWBC-LJQANCHMSA-N
SMILES	O=C(CC(CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

Safety Information

Hazard Codes	Xi

Synonyms

BAY12-9566,(S)-4Chloro-g-oxo-a-[(phenylthio)methyl][1,1biphenyl]-4-butanoicAcid

(S)-4-[4-(4-Chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid

(S)-4'-Chloro-g-oxo-a-[(phenylthio)methyl][1,1'-biphenyl]-4-butanoic acid

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