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Trp-O-Bz (hydrochloride)

CAT: 0804-HY-W006418Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W006418Size:1 Each
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Description
Trp-O-Bz (hydrochloride) (Compound 5b) is a benzyl ester with a KD of 200 μM for HumRADA2. Trp-O-Bz (hydrochloride) can be studied in research on tumor suppression protein and protein-protein interaction[1].
CAS Number
35858-81-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer
Purity
99.89
Smiles
O=C(OCC1=CC=CC=C1)[C@@H](N)CC2=CNC3=CC=CC=C23.Cl
Molecular Formula
C18H19ClN2O2
Molecular Weight
330.81
Precautions
H302, H315, H319, H335
References & Citations
[1]Scott DE, et al, . Small-molecule inhibitors that target protein-protein interactions in the RAD51 family of recombinases. ChemMedChem. 2015 Feb;10 (2) :296-303.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

L-tryptophan benzyl ester hydrochloride
CAS Number35858-81-2
PubChem CID45073232
IUPAC Namebenzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
Molecular FormulaC18H19ClN2O2
Molecular Weight330.8
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity368
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)N.Cl
InChI
InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m0./s1
InChIKey
DOKDMGOWZOTZRA-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of L-tryptophan benzyl ester hydrochloride
CAS: 35858-81-2
CID: 45073232
Formula: C18H19ClN2O2
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass330.1135055
Monoisotopic Mass330.1135055
Topological Polar Surface Area68.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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