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BE-16627B

CAT: 0931-T70834-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70834-02Size:50 mg
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CAS Number
137530-61-1
Target
Others
Related Pathways
Others
Bioactivity
BE-16627B is a novel metalloproteinase (MP) inhibitor isolated from Streptomyces sp. BE16627B selectively inhibited MPs such as human stromelysin and 92 kD gelatinase. After the cells were cultured with BE16627B for 5 days, BE16627B inhibited MP activity in the primary culture supernatants from synovial cells in a dose-dependent fashion without showing apparent cytotoxicity or affecting the production and secretion of MPs. Its IC50 for active collagenolysis before activation by trypsin was 25 microM.
Smiles
C(C(N[C@H](C(N[C@@H]([C@@H](C)C)C(O)=O)=O)CO)=O)(CC(NO)=O)CC(C)C
Molecular Formula
C16H29N3O7
Molecular Weight
375.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BE-16627B
CAS Number137530-61-1
PubChem CID132070
IUPAC Name(2S)-2-[[(2S)-3-hydroxy-2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC16H29N3O7
Molecular Weight375.42
XLogP-0.4
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O
InChI
InChI=1S/C16H29N3O7/c1-8(2)5-10(6-12(21)19-26)14(22)17-11(7-20)15(23)18-13(9(3)4)16(24)25/h8-11,13,20,26H,5-7H2,1-4H3,(H,17,22)(H,18,23)(H,19,21)(H,24,25)/t10?,11-,13-/m0/s1
InChIKey
ZTDAMCPLHAKWAY-KUNJKIHDSA-N
Chemical Structure
2D Structure
2D structure of BE-16627B
CAS: 137530-61-1
CID: 132070
Formula: C16H29N3O7
MW: 375.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.42
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass375.20055027
Monoisotopic Mass375.20055027
Topological Polar Surface Area165 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-120015BE-16627B

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