3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | CAS No. 1224844-38-5

3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Basic Information

CAS Number

1224844-38-5

Molecular Formula

C15H15N7O

Molecular Weight

309.33 g/mol

AD

Basic Physical Properties

Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C

InChI

InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)

InChIKey

GYLDXIAOMVERTK-UHFFFAOYSA-N

LogP

2.3798000000000004

Topological Polar Surface Area

121.67 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

436

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 5-(4-aMino-1-isopropyl-1H-pyrazolo[3,4-d]pyriMidin-3-yl)benzo[d]oxazol-2-aMine
  • INK 128 (MLN0128)
  • 3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 3-(2-aminobenzo[d]oxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 5-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]-pyrimidin-3-yl)benzo[d]oxazol-2-amine
  • INK128
  • INK-128
  • BCP9000789
  • CS-0557
  • HY-13328
  • MLN0128
  • Sapanisertib
  • SureCN7902875
  • INK 128
  • JGH0DF1U03
  • 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
  • C15H15N7O
  • Sapanisertib; INK128
  • Sapanisertib (USAN/INN)
  • Sapanise

MDL Number

MFCD22124893

FAQ

What regulatory guidelines apply to 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 1224844-38-5)?

This compound falls under the purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification of health, environmental, and physical hazards. It is also subject to the European Union’s REACH regulations for registration, evaluation, authorization, and restriction of chemicals. For FDA and EPA requirements, it must meet stringent standards for safety, purity, and labeling. Companies handling this compound must ensure compliance with local and international regulations.

Are there alternatives to 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine in synthesis (CAS: 1224844-38-5)?

While 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is a unique compound, alternatives include structurally similar isomers and analogs. Common substitutes in synthesis include 3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-isopropyl-1,3-benzoxazol-2(3H)-amine and related derivatives. These alternatives can provide similar functionalities while potentially reducing synthesis complexity or environmental impact.

What is the market or research trend for 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 1224844-38-5)?

The market for this compound is currently driven by its potential applications in pharmaceuticals, particularly in the development of new drugs targeting specific diseases. Research trends are focusing on its bioavailability, pharmacokinetics, and its role in therapeutic areas such as oncology and neurology. Additionally, there is growing interest in its synthesis and purification methods to enhance its safety and efficacy.

How should waste containing 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS: 1224844-38-5) be handled?

Waste containing this compound should be collected in appropriate containers and stored under secure and controlled conditions to prevent environmental contamination. For disposal, it is recommended to use professional waste disposal services that can handle hazardous chemicals. Incineration is a common method, but it must be conducted in facilities equipped to manage the specific hazards of this compound. Environmental precautions include proper ventilation and personal protective equipment to safeguard against exposure.

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