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PD-1/PD-L1-IN-29 intermediate-2

CAT: 0804-HY-W457085-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W457085-01Size:1 g
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Description
PD-1/PD-L1-IN-29 intermediate-2 is an intermediate of PD-1/PD-L1 inhibitors and can be used to synthesize Antibody-Drug Conjugates (ADCs) .
CAS Number
59859-77-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PD-1/PD-L1
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pd-1-pd-l1-in-29-intermediate-2.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
OC[C@@H](C(OC(C)(C)C)=O)NC(OCC1=CC=CC=C1)=O
Molecular Formula
C15H21NO5
Molecular Weight
295.33
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxypropanoate
CAS Number59859-77-7
PubChem CID11140975
IUPAC Nametert-butyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
Molecular FormulaC15H21NO5
Molecular Weight295.33
XLogP1.7
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity344
SMILES
CC(C)(C)OC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-13(18)12(9-17)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKey
KEGGPKIRWQIHQT-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxypropanoate
CAS: 59859-77-7
CID: 11140975
Formula: C15H21NO5
MW: 295.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.33
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass295.14197277
Monoisotopic Mass295.14197277
Topological Polar Surface Area84.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity344
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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