N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide

Basic Information

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CAS Number

702675-74-9

Molecular Formula

C23H26IN7O2S

Molecular Weight

591.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.644

Solubility

DMSO: soluble15mg/mL, clear

SMILES

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C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I

InChI

InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)

InChIKey

VAVXGGRQQJZYBL-UHFFFAOYSA-N

LogP

4.746000000000003

Topological Polar Surface Area

111.28 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

669

Safety Information

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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

BX-795 hydrochloride
BX7
NCGC00250386-01
AKOS016369934
NCGC00250386-02
BX 795
N-(3-((5-iodo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
CCG-264884
SMR004702959
AS-16196
N-[3-[[5-IODO-4-[[3-[(2-THIENYLCARBONYL)AMINO]PROPYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE
BCP0726000131
HMS3651A07
CHEMBL577784
FT-0700352
HY-10514
BRD-K47983010-001-01-3
J-522980
SB13079
SW208681-3
MFCD12546134
NCGC00250386-12
BX-795, 3
N-(3-(5-iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide
s1274
GTPL8006
BDBM17051
702675-74-9
N-(3-{[5-Iodo-4-({3-[(Thiophen-2-Ylcarbonyl)amino]propyl}amino)pyrimidin-2-Yl]amino}phenyl)pyrrolidine-1-Carboxamide
C23H26IN7O2S
CS-0259

MDL Number

MFCD12546134

FAQ

What regulatory guidelines apply to N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9)?

N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) falls under the purview of the Global Harmonized System (GHS) for Classification and Labeling of Chemicals, which includes health, environmental, and physical hazards. In the European Union, it is also regulated by the REACH regulations. For the United States, FDA and EPA have specific guidelines for the handling and disposal of this compound. It is important to consult current regulatory documents for the most accurate and up-to-date information.

Are there alternatives to N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) in synthesis?

While direct alternatives for N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) may not exist, researchers often explore structurally similar compounds such as analogs with different functional groups or isomers with altered physical properties. Common alternative reagents in synthetic chemistry include different precursors or modifying agents to achieve similar biological or chemical effects.

What is the market or research trend for N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9)?

The market for N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) is currently experiencing a focus on its potential applications in pharmaceuticals and biotechnology due to its unique chemical structure. Research trends indicate a growing interest in exploring its biological activity and potential as a therapeutic agent. Market trends suggest increasing demand for related compounds and their derivatives in the coming years.

How should waste containing N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) be handled?

Waste containing N-(3-{[5-Iodo-4-({3-[(2-thienylcarbonyl)amino]propyl}amino)-2-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide (CAS: 702675-74-9) should be collected in sealed, labeled containers and stored in a secure location. Proper disposal methods include incineration in a professional incinerator or professional waste disposal services. Environmental protection precautions should include proper ventilation and personal protective equipment to minimize exposure and environmental impact. Compliance with local and national regulations is essential.