DAU 5884 hydrochloride - ≥98% , CAS No.131780-48-8

CAS: 131780-48-8 Cat. No.: D274994 Molecular Weight: 351.83 PubChem CID: 16759154

GRADE & PURITY ≥98%

Synonyms

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride | 8-Methyl-8-azabicyclo-3-endo(3.2.1)oct-3-yl-1,4-dihydro -2-oxo-3(2H)-quinazolinecarboxylic acid ester hydrochloride | (1R,5S)-8-Methyl-8-azabicyclo

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

[(1R, 5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1, 4-dihydroquinazoline-3-carboxylate;hydrochloride | 8-Methyl-8-azabicyclo-3-endo(3.2.1)oct-3-yl-1, 4-dihydro -2-oxo-3(2H)-quinazolinecarboxylic acid ester hydrochloride | (1R, 5S)-8-Methyl-8-azabicyclo

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C2CCC1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl
• IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride
• InChIKey: FDERDDSQHZRNGC-LIWIJTDLSA-N
• INCHI: 1S/C17H21N3O3.ClH/c1-19-12-6-7-13(19)9-14(8-12)23-17(22)20-10-11-4-2-3-5-15(11)18-16(20)21;/h2-5,12-14H,6-10H2,1H3,(H,18,21);1H/t12-,13+,14?
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl
• PubChem CID: 16759154
• Molecular Weight: 351.83

Mechanisms of Action

Chemical and Physical Properties

• Solubility: <17.59mg/ml in H2O; ＜50mM in H2O , <35.18mg/ml in DMSO,＜100mM in DMSO
• Molecular Weight: 351.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 351.135 Da
• Monoisotopic Mass: 351.135 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 483.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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