2,4-Diamino-6-(hydroxymethyl)pteridine Hydrochloride - CAS 73978-41-3
Catalog: |
BB034966 |
Product Name: |
2,4-Diamino-6-(hydroxymethyl)pteridine Hydrochloride |
CAS: |
73978-41-3 |
Synonyms: |
2,4-Diaminopyrimido[4,5-b]pyrazine-6-methanol Monohydrochloride; 4-Diamino-6-pteridinemethanol Hydrochloride |
Application: |
Methotrexate intermediate. |
Related CAS: | 945-24-4 (free base)
|
IUPAC Name: | (2,4-diaminopteridin-6-yl)methanol;hydrochloride |
Description: | 2,4-Diamino-6-(hydroxymethyl)pteridine Hydrochloride is one of methotrexate intermediates. Methotrexate is a Folic Acid antagonist, used as a antineoplastic and antirheumatic. |
Molecular Weight: | 228.64 |
Molecular Formula: | C7H9ClN6O |
Canonical SMILES: | C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl |
InChI: | InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H |
InChI Key: | XZHMPUJCSYVIQL-UHFFFAOYSA-N |
Boiling Point: | 636.5°C at 760 mmHg |
Melting Point: | >218°C (dec.) |
Purity: | 95% |
Solubility: | Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
Appearance: | Light orange to light brown solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00191246 |
LogP: | 1.04090 |
GHS Hazard Statement: | H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021034834-A1 | Compositions for sunscreen compounds and methods thereof | 20190818 |
WO-2020120785-A1 | Antifolate-carrying nanoparticles and their use in medicine | 20181214 |
CN-113423433-A | Nanoparticles carrying antifolates and their use in medicine | 20181214 |
EP-3893938-A1 | Antifolate-carrying nanoparticles and their use in medicine | 20181214 |
WO-2018037120-A1 | Prodrugs activated by reactive oxygen species for use in the treatment of inflammatory diseases and cancer | 20160826 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0526366 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0526366 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 124 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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