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SL-01

CAT: 0931-T19779-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0931-T19779-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26049-94-5
Target
Others, DNA/RNA Synthesis, Autophagy, Apoptosis, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, Others, Apoptosis, Autophagy, DNA Damage/DNA Repair
Bioactivity
SL-01 is an oral derivative of gemcitabine. SL-01 inhibited human breast cancer growth through the induction of apoptosis. SL-01 inhibited human cancer growth more potently than gemcitabine.
Smiles
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Molecular Formula
C18H18ClNO3
Molecular Weight
331.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone

alkylates histidine residue at active center of bovine chymotrypsin

CAS Number26049-94-5
PubChem CID99625
IUPAC Namebenzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
Molecular FormulaC18H18ClNO3
Molecular Weight331.8
XLogP3.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity376
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChIKey
OYHLRJGDELITAF-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
CAS: 26049-94-5
CID: 99625
Formula: C18H18ClNO3
MW: 331.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass331.0975211
Monoisotopic Mass331.0975211
Topological Polar Surface Area55.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity376
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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