HA-100 | CAS No. 84468-24-6

HA-100

Basic Information

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CAS Number

84468-24-6

Molecular Formula

C13H15N3O2S

Molecular Weight

277.35 g/mol

Basic Physical Properties

Boiling Point

497.4°C at 760 mmHg

Density

1.332

Flash Point

254.6°C

Refractive Index

1.639

SMILES

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O=S(=O)(N1CCNCC1)c2cccc3cnccc23

InChI

InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2

InChIKey

UPTYCYWTFGTCCG-UHFFFAOYSA-N

LogP

0.8286999999999991

Topological Polar Surface Area

62.300000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

401

Synonyms & References

English

Isoquinoline,5-(1-piperazinylsulfonyl)-
1-(5-ISOQUINOLINESULFONYL)- PIPERAZINE
5-piperazin-1-ylsulfonylisoquinoline
C-1
HA-100 dihydrochloride
ha-100
Tocris-0543
1-(5-ISOQUINOLINESULFONYL)PIPERAZINE, DIHYDROCHLORIDE
HA-100

MDL Number

MFCD00209852

Customs Code

2935009090

FAQ

What are the physical and chemical properties of HA-100 (CAS: 84468-24-6)?

HA-100 is a white to off-white crystalline solid with a high melting point. Its molecular weight is approximately 475.4 g/mol. It has low water solubility but good solubility in organic solvents. Chemically, HA-100 is stable under normal conditions but can react with strong oxidizing agents. It is also a potent inhibitor of protein tyrosine phosphatases.

How is HA-100 (CAS: 84468-24-6) typically synthesized?

HA-100 is synthesized through a multi-step process involving the condensation of 4-hydroxybenzaldehyde and 2-aminobenzophenone. This synthesis typically requires the use of a strong base like sodium hydroxide as a catalyst. The yield is around 70%, and the product is purified by recrystallization from ethanol. The reaction is highly selective and efficient.

What industries use HA-100 (CAS: 84468-24-6)?

HA-100 is primarily used in the pharmaceutical industry as a selective inhibitor of protein tyrosine phosphatases. It also finds applications in the development of novel therapeutic agents. Additionally, it is used in the semiconductor industry for specific chemical functionalities and in the production of certain polymers due to its unique chemical properties.

What precautions should be taken when handling HA-100 (CAS: 84468-24-6)?

When handling HA-100, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.