(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
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(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
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CAS No:
26049-94-5
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Formula:
C18H18ClNO3
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Chemical Name:
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
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Synonyms:
Carbamic acid,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-,phenylmethyl ester;Carbamic acid,[α-(chloroacetyl)phenethyl]-,benzyl ester,L-;Carbamic acid,[3-chloro-2-oxo-1-(phenylmethyl)propyl]-,phenylmethyl ester,(S)-;Carbamic acid,[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-,phenylmethyl ester;[Nα-(Benzyloxycarbonyl)phenylalanyl]chloromethane;(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone;NSC 251810
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CAS No:
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone Basic Attributes
331.79
331.79
247-432-8
2924299090
Characteristics
55.4
4.28
white powder.
1.2±0.1 g/cm3
109-111 °C
503.1±50.0 °C at 760 mmHg
258.1±30.1 °C
1.573
-15°C
Safety Information
UN 3261 8/PG 2
3
34
26-27-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone Use and Manufacturing
SL 01 is a prodrug of gemcitabine , the nucleoside analog used intravenously to treat various cancers that was designed for improved oral bioavailability. SL 01 can inhibit the growth of human non-small cell lung cancer NCI-H460 cells, colon cancer HCT-116 cells, and breast cancer MCF-7 cells (IC50s = 0.78, 0.92, and 0.64 μM, respectively), inducing apoptosis. In nude mice bearing NCI-H460, HCT-116, or MCF-7 cancer cell xenografts, SL 01 at 10-50 μM/kg has been shown to delay tumor growth.
Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester: INACTIVE
Computed Properties
Molecular Weight:331.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:331.0975211
Monoisotopic Mass:331.0975211
Topological Polar Surface Area:55.4
Heavy Atom Count:23
Complexity:377
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
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