Batimastat

CAT: 0498-bs-7041C-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-7041C-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

130370-60-4

Conjugation

Unconjugated

Purity

Buffer

Powder

Solubility

Soluble in DMSO, not in water

Smiles

CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NC

Molecular Formula

C23 H31 N3 O4 S2

Molecular Weight

477.64

InChI

InChI=1S/C23H31N3O4S2/c1-15 (2) 12-17 (18 (22 (28) 26-30) 14-32-20-10-7-11-31-20) 21 (27) 25-19 (23 (29) 24-3) 13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3, (H,24,29) (H,25,27) (H,26,28) /t17-,18+,19+/m1/s1

Storage Conditions

Store in dry, dark place at -20C for 1 year.

Shelf Life

1 year

Appearance

Solid Power.

Chemical Information

Batimastat

Batimastat is a secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. It has a role as an antineoplastic agent, an angiogenesis inhibitor and a matrix metalloproteinase inhibitor. It is a secondary carboxamide, an organic sulfide, a hydroxamic acid, a member of thiophenes, a triamide and a L-phenylalanine derivative.

CAS Number	130370-60-4
PubChem CID	5362422
IUPAC Name	(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Molecular Formula	C23H31N3O4S2
Molecular Weight	477.6
XLogP	3.5
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	32
Formal Charge	0
Complexity	614

SMILES

CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1

InChIKey

XFILPEOLDIKJHX-QYZOEREBSA-N

Chemical Structure

2D Structure

CAS: 130370-60-4

CID: 5362422

Formula: C23H31N3O4S2

MW: 477.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	477.17559883
Monoisotopic Mass	477.17559883
Topological Polar Surface Area	161 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
200442	Batimastat
FB148802-01	Batimastat sodium
162737	Batimastat-d3
2540-1	EZSolution™ Batimastat
HY-13564R	Batimastat (Standard)
HY-13564A-01	Batimastat (sodium salt)
GTR19206500	Batimastat sodium salt
S7155-1mg	Batimastat (BB-94)
1704-5	Batimastat (MMP Inhibitor)

Batimastat

Chemical Information

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