(2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1) | CAS No. 896466-76-5

(2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1)

Basic Information

CAS Number

896466-76-5

Molecular Formula

C22H29N7O5

Molecular Weight

471.52 g/mol

AD

Basic Physical Properties

CC(C(=O)O)O.C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C19H23N7O2.C3H6O3/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26;1-2(4)3(5)6/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27);2,4H,1H3,(H,5,6)/t;2-/m.0/s1

InChIKey

RWYNKTMXFIMBFE-WNQIDUERSA-N

LogP

1.5208999999999995

Topological Polar Surface Area

168.48999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

614

Synonyms & References

English

  • EX-A201-1
  • 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1h-benzoimidazol-2-yl)-1h-pyrazol-4-yl]-urea l-lactate salt
  • 896466-76-5 (lactate)
  • 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1h-benzoimidazol-2-yl)-1h-pyrazol-4-yl]-urea l-lactic acid salt
  • AKOS030231597
  • AT9283 L-Lactate
  • HY-10058
  • CS-0002423
  • UNII-NP03YG4TOE
  • 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea, L-lactate salt
  • (2S)-2-Hydroxypropanoic acid--N-cyclopropyl-N'-[(3E)-3-{5-[(morpholin-4-yl)methyl]-2H-benzimidazol-2-ylidene}-2,3-dihydro-1H-pyrazol-4-yl]urea (1/1)
  • 1-cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea(S)-2-hydroxypropanoate
  • AT9283 (lactic acid)
  • AT-9283 L-lactate
  • AT9283,(2S)-2-hydroxypropanoic acid
  • DTXSID20635838
  • AC-35524
  • RWYNKTMXFIMBFE-WNQIDUERSA-N
  • 1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;(2S)-2-hydroxypropanoic acid
  • NP03YG4TOE
  • 896466-76-5
  • AT9283
  • C22H29N7O5

MDL Number

MFCD12031513

FAQ

What regulatory guidelines apply to (2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1) (CAS: 896466-76-5)?

This compound is subject to the REACH regulations in the EU, which require manufacturers and importers to register substances if they have a tonnage threshold of 1 ton per year. Additionally, it may fall under the GHS classification as a hazardous chemical due to its pharmacological activity. FDA and EPA regulations could also apply in the USA, requiring specific documentation and handling procedures to ensure safety and environmental protection.

Are there alternatives to (2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1) (CAS: 896466-76-5) in synthesis?

Alternative reagents such as related compounds like morpholinyl derivatives or other substituted ureas can be used as synthetic alternatives. Isomers or analogs with similar pharmacological properties may also serve as viable alternatives depending on the specific requirements of the synthesis process.

What is the market or research trend for (2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1) (CAS: 896466-76-5)?

The market for this compound is primarily driven by its application in pharmaceutical research, particularly in the development of antiviral and anticancer drugs. Research trends show increasing interest in exploring its potential for treating viral infections and cancers, with a focus on optimizing its efficacy and reducing side effects. Market trends indicate growing investment in clinical trials and preclinical studies.

How should waste containing (2S)-2-Hydroxypropanoic acid - 1-cyclopropyl-3-{3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (1:1) (CAS: 896466-76-5) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Hazardous waste incineration is a common method for disposal, ensuring compliance with environmental protection regulations. Precautions include proper labeling, handling to prevent spills, and adherence to local and international waste management guidelines to minimize environmental impact.

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