Altretamine - CAS 645-05-6
Catalog: |
BB032485 |
Product Name: |
Altretamine |
CAS: |
645-05-6 |
Synonyms: |
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine |
Application: |
An antitumor agent which also acts as a chemosterilant for male houseflies and other insects. Antineoplastic. |
Related CAS: | 2975-00-0 (hydrochloride)
|
IUPAC Name: | 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine |
Description: | Altretamine is an anti-neoplastic agent. |
Molecular Weight: | 210.28 |
Molecular Formula: | C9H18N6 |
Canonical SMILES: | CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C |
InChI: | InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3 |
InChI Key: | UUVWYPNAQBNQJQ-UHFFFAOYSA-N |
Boiling Point: | 301 °C |
Melting Point: | 172-174 °C |
Purity: | > 98 % |
Density: | 1.148 g/cm3 |
Solubility: | Insoluble |
Appearance: | Solid |
LogP: | 0.06960 |
Stability: | Bulk: the bulk drug is stable at room temperature. solution: aqueous solutions at ph 4, 7, And 10 are stable for 24 hours at room temperature (uv) |
Vapor Pressure: | 2.95X10-4 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10988479-B1 | Morphic forms of trilaciclib and methods of manufacture thereof | 20200615 |
US-2020268829-A1 | Methods and compositions for inhibiting metastases of an endothelin b receptor expressing cancer | 20200324 |
US-2020289495-A1 | Methods of inhibiting endothelin b receptor expressing tumor metastases | 20200324 |
US-10980756-B1 | Methods of treatment | 20200316 |
EP-3842452-A1 | Scaffold proteins and therapeutic nanoconjugates based on nidogen | 20191226 |
PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22330607 | 20120213 | Therapeutic strategies in epithelial ovarian cancer | Journal of experimental & clinical cancer research : CR |
22309994 | 20120206 | Validation of a single-platform, volumetric, flow cytometry for CD4 T cell count monitoring in therapeutic mobile unit | Journal of translational medicine |
22384063 | 20120101 | A data-driven predictive approach for drug delivery using machine learning techniques | PloS one |
21592352 | 20110518 | Concordance of self-reported and medical chart information on cancer diagnosis and treatment | BMC medical research methodology |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.15929460 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.15929460 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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