N-Boc-4-azido-L-homoalanine (dicyclohexylammonium) salt - CAS 1217459-14-7
Catalog: |
BB005254 |
Product Name: |
N-Boc-4-azido-L-homoalanine (dicyclohexylammonium) salt |
CAS: |
1217459-14-7 |
Synonyms: |
(2S)-4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;N-cyclohexylcyclohexanamine |
IUPAC Name: | (2S)-4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;dicyclohexylazanium |
Description: | N-Boc-4-azido-L-homoalanine (dicyclohexylammonium) salt (CAS# 1217459-14-7) is a reagent used in the synthesis of Dolastatin (D534505) analogs, which inhibits tubulin polymerization and noncompetitively inhibits binding of radiolabeled vincristine to tubulin. An anti-tumor agent. |
Molecular Weight: | 425.57 |
Molecular Formula: | C21H39N5O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCN=[N+]=[N-])C(=O)O.C1CCC(CC1)NC2CCCCC2 |
InChI: | InChI=1S/C12H23N.C9H16N4O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)17-8(16)12-6(7(14)15)4-5-11-13-10/h11-13H,1-10H2;6H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t;6-/m.0/s1 |
InChI Key: | UCLAYMPJMDBLOX-ZCMDIHMWSA-N |
Purity: | 95 % |
LogP: | 4.95416 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 441 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 425.30020474 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 425.30020474 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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