4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol

Basic Information

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CAS Number

1227633-49-9

Molecular Formula

C24H23N5OS

Molecular Weight

429.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

604.9±65.0°C at 760 mmHg

Solubility

Insuluble (3.1E-4 g/L) (25 ºC),

SMILES

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CC(C)n1cnc2c1nc(nc2NCCc3ccc(cc3)O)c4csc5c4cccc5

InChI

InChI=1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)

InChIKey

BGFHMYJZJZLMHW-UHFFFAOYSA-N

LogP

5.649100000000005

Topological Polar Surface Area

75.86 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

586

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SR-1
SteMRegenin 1
SR1
SetmEegenin 1
StemRegenin 1 (SR1)
StemRegenin 1 hydrochloride（SR1 hydrochloride）
4-[2-[[2-Benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]phenol
4-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol
Etmregenin 1
C24H23N5OS
StemRegenin1
stemRegenin-1
SetmRegenin 1
BGFHMYJZJZLMHW-UHFFFAOYSA-N
StemRegenin 1(SR-1)
MLS006011183
AOB2652
HMS3651H19
BCP07738
s2858
2730AH
BC600356
AK340951
SMR004702952
A
StemRegenin 1

MDL Number

MFCD16987861

FAQ

What are the physical and chemical properties of 4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9)?

4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9) is a crystalline compound with a molecular weight of approximately 505.36 g/mol. It has a high solubility in organic solvents such as DMF and DMSO, but is only slightly soluble in water. It has good stability under normal conditions but is susceptible to hydrolysis in acidic or basic environments. It exhibits low reactivity in general, but can undergo nucleophilic substitution reactions under specific conditions.

How is 4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9) typically synthesized?

4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9) can be synthesized through a multi-step process involving amidation and nucleophilic substitution reactions. Typically, a purine derivative is reacted with a phenol derivative in the presence of a base to form the desired compound. The reaction is carried out in an aprotic solvent at room temperature, and the yield ranges from 50-70%.

What industries use 4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9)?

4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9) is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It may also have applications in materials science, specifically in the development of advanced polymers and sensors. Its unique chemical properties make it suitable for various applications in these industries.

What precautions should be taken when handling 4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9)?

Proper handling of 4-(2-{[2-(1-Benzothiophen-3-yl)-9-isopropyl-9H-purin-6-yl]amino}ethyl)phenol (CAS: 1227633-49-9) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be performed in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and proper disposal methods. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.