2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride

• ChemBase ID: 103011
• Molecular Formular: C8H14ClN5O
• Molecular Mass: 231.68266
• Monoisotopic Mass: 231.08868777
• SMILES: Cl.CC1Nc2nc(N)nc(O)c2NC1C
• Canonical SMILES: CC1Nc2c(NC1C)nc(nc2O)N.Cl
• InChI: InChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
• InChIKey: GIHYTRGUZVYCQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
• IUPAC Traditional name: 2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
• Synonyms: DMPH4; 6,7-Dimethyl-5,6,7,8-tetrahydropterine hydrochloride; DMPH₄; 6,7-Dimethyl-5,6,7,8-tetrahydropterine hydrochloride; 2-Amino-6,7-dimethyl-4-hydroxy-5,6,7,8-tetrahydropteridine; 2-AMINO-4-HYDROXY-6,7-DIMETHYL-5,6,7,8-TETRAHYDROPTERIDINE HYDROCHLORIDE; 2-氨基-4-羟基-6,7-二甲基-5,6,7,8-四氢蝶啶; 6,7-二甲基-5,6,7,8-四氢蝶呤 盐酸盐

Database IDs

• CAS Number: 945-43-7
• EC Number: 213-413-8
• MDL Number: MFCD00012731
• PubChem SID: 162091289; 24893229
• PubChem CID: 73578

CALCULATED PROPERTIES

• Acid pKa: 13.316719
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 0.39085174
• LogD (pH = 7.4): 0.39211002
• Log P: 0.39212662
• Molar Refractivity: 57.2328 cm^3
• Polarizability: 19.257977 Å^3
• Polar Surface Area: 96.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-36/37/39-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Storage Temperature: -20°C

Product Information

• Purity: ≥95%

DETAILS

MP Biomedicals - 02150351

Hydrochloride
Co-factor for phenylalanine and tryptophan hydroxylation.
Kaufman, J. Biol. Chem. , 234 : 2683, (1959),

Sigma Aldrich - D0387

Biochem/physiol Actions
合成的还原蝶呤辅因子，用于一氧化氮合成酶，还用于苯丙氨酸、酪氨酸以及色氨酸羟化酶；活性低于天然辅因子四氢生物蝶呤 (BH4)。
包装
100 mg in glass bottle