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CAS 115-02-6 AZASERINE molecular structure lightbox
CAS RN: 115-02-6

AZASERINE

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 1ml In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 10mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS115-02-6
  • Purity/Analytical Methods: >99.0%
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115-02-6 / (2S)-2-amino-3-(2-diazoacetyl)oxypropanoic acid

D-Azaserine | NSC166613 | NCGC00018164-02

Standard CAS: 115-02-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
115-02-6
Multi CAS
Yes
Molecular Formula
C5H7N3O4
Molecular Weight
173.130000
Exact Mass
173.043656
SMILES
C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]
InChI
InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1
InChIKey
MZZGOOYMKKIOOX-VKHMYHEASA-N
Synonyms
D-Azaserine NSC166613 NCGC00018164-02 O-Diazoacethylserin CI-337;O-Diazoacetyl-L-serine;P-165

Physical Properties

Melting Point
About 157 deg
Physical Description
Azaserine appears as pale yellow to green crystals. Used as an antifungal agent. Light yellow-green solid; [Merck Index] Faintly yellow powder
Appearance
ORTHORHOMBIC, PALE YELLOW TO GREEN CRYSTALS FROM 90% ETHANOL.
State
Solid
Storage Conditions
PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.25
TPSA
126.02

LogP / Solubility

WLOGP
-1.76
MLOGP
-1.55
XLogP3
-3.2
Consensus LogP
-2.17
Log S (ESOL)
0.46
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H301: Toxic if swallowed [Danger Acute toxicity, oral] H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351: Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501

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