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(R) -KMH-233

CAT: 0804-HY-120139A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120139A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -KMH-233 is the isomer of KMH-233 , and can be used as an experimental control. KMH-233, a potent, reversible and selective l-type amino acid transporter 1 (LAT1) inhibitor, inhibits the uptake of LAT1 substrate, l-leucin (IC50=18 μM) as well as cell growth. KMH-233 significantly potentiates the efficacy of Bestatin and Cisplatin even at low concentrations (25 μM).
CAS Number
2994330-89-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
ASCT
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/r-kmh-233.html
Solubility
10 mM in DMSO
Smiles
O=C(O)[C@H](N)CC1=CC=CC(C(NC2=C(C#N)C(C3=CC=C(OCC(NC)=O)C=C3)=C(C#N)C4=NC5=CC=CC=C5N24)=O)=C1
Molecular Formula
C32H25N7O5
Molecular Weight
587.58
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Huttunen KM, et al. A Selective and Slowly Reversible Inhibitor of l-Type Amino Acid Transporter 1 (LAT1) Potentiates Antiproliferative Drug Efficacy in Cancer Cells. J Med Chem. 2016;59 (12) :5740-5751.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-2-amino-3-[3-[[2,4-dicyano-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pyrido[1,2-a]benzimidazol-1-yl]carbamoyl]phenyl]propanoic acid
CAS Number2994330-89-9
PubChem CID163196684
IUPAC Name(2R)-2-amino-3-[3-[[2,4-dicyano-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pyrido[1,2-a]benzimidazol-1-yl]carbamoyl]phenyl]propanoic acid
Molecular FormulaC32H25N7O5
Molecular Weight587.6
XLogP2
Topological Polar Surface Area196
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1160
SMILES
CNC(=O)COC1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)NC(=O)C5=CC=CC(=C5)C[C@H](C(=O)O)N)C#N
InChI
InChI=1S/C32H25N7O5/c1-36-27(40)17-44-21-11-9-19(10-12-21)28-22(15-33)29-37-25-7-2-3-8-26(25)39(29)30(23(28)16-34)38-31(41)20-6-4-5-18(13-20)14-24(35)32(42)43/h2-13,24H,14,17,35H2,1H3,(H,36,40)(H,38,41)(H,42,43)/t24-/m1/s1
InChIKey
MLNOOVGSMCJSCE-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-amino-3-[3-[[2,4-dicyano-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pyrido[1,2-a]benzimidazol-1-yl]carbamoyl]phenyl]propanoic acid
CAS: 2994330-89-9
CID: 163196684
Formula: C32H25N7O5
MW: 587.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight587.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass587.19171692
Monoisotopic Mass587.19171692
Topological Polar Surface Area196 Ų
Heavy Atom Count44
Formal Charge0
Complexity1160
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