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Home Halogens 4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid

4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid

CAS No.:
1201902-80-8
Catalog Number:
AG000QJT
Molecular Formula:
C20H23BCl2N2O9
Molecular Weight:
517.1216
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
≥95%
1 week
United States
$276
- +
10mg
≥95%
1 week
United States
$446
- +
50mg
≥95%
1 week
United States
$1394
- +
Product Description
Catalog Number:
AG000QJT
Chemical Name:
4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
CAS Number:
1201902-80-8
Molecular Formula:
C20H23BCl2N2O9
Molecular Weight:
517.1216
MDL Number:
MFCD18251437
IUPAC Name:
4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
InChI:
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
InChI Key:
YTXSYWAKVMZICI-PVCZSOGJSA-N
SMILES:
CC(C[C@@H](B1OC(=O)CC(O1)(CC(=O)O)C(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C
Properties
Complexity:
815  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
516.087g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
517.119g/mol
Monoisotopic Mass:
516.087g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
The investigational proteasome inhibitor ixazomib for the treatment of multiple myeloma. Future oncology (London, England) 20150101
Ixazomib for the treatment of multiple myeloma. Expert opinion on investigational drugs 20150101
Linker for activation of T-cell family member2 (LAT2) a lipid raft adaptor protein for AKT signaling, is an early mediator of alkylphospholipid anti-leukemic activity. Molecular & cellular proteomics : MCP 20121201
Next-generation proteasome blockers promise safer cancer therapy. Nature medicine 20120106
Drugs: More shots on target. Nature 20111214
Antitumor activity of the investigational proteasome inhibitor MLN9708 in mouse models of B-cell and plasma cell malignancies. Clinical cancer research : an official journal of the American Association for Cancer Research 20111201
In vitro and in vivo selective antitumor activity of a novel orally bioavailable proteasome inhibitor MLN9708 against multiple myeloma cells. Clinical cancer research : an official journal of the American Association for Cancer Research 20110815
Chemical and biological evaluation of dipeptidyl boronic acid proteasome inhibitors for use in prodrugs and pro-soft drugs targeting solid tumors. Journal of medicinal chemistry 20110714
Evaluation of the proteasome inhibitor MLN9708 in preclinical models of human cancer. Cancer research 20100301
Properties