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ARP 101

CAT: 0926-ZIB77363-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-ZIB77363-01Size:25 mg
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CAS Number
849773-63-3
Smiles
CC (C) [C@H] (C (=O) NO) N (OC (C) C) S (=O) (=O) C1=CC=C (C=C1) C2=CC=CC=C2
Molecular Formula
C20H26N2O5S
Molecular Weight
406.5 g/mol
Controlled
No

Chemical Information

Arp 101

N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide is a hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing. It has a role as an autophagy inducer, an antineoplastic agent, a melanin synthesis inhibitor and an EC 3.4.24.24 (gelatinase A) inhibitor. It is a hydroxamic acid and a D-valine derivative.

CAS Number849773-63-3
PubChem CID11292680
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
Molecular FormulaC20H26N2O5S
Molecular Weight406.5
XLogP3.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity588
SMILES
CC(C)[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
InChIKey
DGZZVIWCMGVHGV-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Arp 101
CAS: 849773-63-3
CID: 11292680
Formula: C20H26N2O5S
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass406.15624311
Monoisotopic Mass406.15624311
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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