2-Chloroadenosine

Basic Information

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CAS Number

146-77-0

Molecular Formula

C10H12ClN5O4

Molecular Weight

301.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

162°C

Boiling Point

591.8 °C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

591.8 °C at 760 mmHg

Solubility

H2O: 10 mg/mL, clear, colorless

Refractive Index

-50 ° (C=0.1, H2O)

SMILES

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C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N

InChI

InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

InChIKey

BIXYYZIIJIXVFW-UUOKFMHZSA-N

LogP

-1.3266000000000007

Topological Polar Surface Area

139.54000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

367

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

PDSP1_000569
MLS001424176
Q27071883
Opera_ID_460
SCHEMBL104094
CHEBI:125640
HMS2235K11
PDSP1_000999
Z1741982920
AKOS015995296
2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
5-Chloroformycin A
HB2844
NCGC00021540-11
MLS000028365
103090-47-7
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
AS-12085
2-Chloroadenosine (CADO)
2-chloro-adenosine
MLS002153284
DTXSID301017134
NSC-36896
Adenosine, 2-chloro-; 2-Chloroadenosine; 2-Chloro-D-adenosine; Antibiotic AT 265B; CADO; NSC 36896
AMY2581
PDSP1_001209
2-CADO
NCGC00021540-04
7W7ZUG45G8
CADO
GTPL372

MDL Number

MFCD00005734

FAQ

What is 2-Chloroadenosine (CAS: 146-77-0)?

2-Chloroadenosine is a nucleoside derivative with the chemical formula C10H13ClN5O4. It contains a chlorine atom at the 2' position of the adenosine molecule, which is composed of adenine and ribose. This compound exhibits unique pharmacological properties and is known for its potential applications in medicinal chemistry. Its CAS number is 146-77-0, which helps in identifying and referencing it in scientific literature.

What are the main uses of 2-Chloroadenosine (CAS: 146-77-0)?

2-Chloroadenosine is primarily used in pharmaceutical research for its potential therapeutic applications, including antiviral and anticancer properties. It is also studied as a radiopharmaceutical agent for imaging purposes. Due to its structural similarity to adenosine, it is of interest in drug development and molecular biology studies. The CAS number 146-77-0 is commonly referenced in these contexts.

Is 2-Chloroadenosine (CAS: 146-77-0) safe?

2-Chloroadenosine is generally considered safe when handled properly in controlled laboratory environments. However, as with many chemical compounds, it requires appropriate safety measures to prevent exposure. It is advisable to use personal protective equipment (PPE) and follow standard chemical safety protocols. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 2-Chloroadenosine (CAS: 146-77-0) be stored?

2-Chloroadenosine should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C. Proper storage conditions help maintain its chemical stability and prevent degradation. For optimal preservation, it should be protected from air and stored in a well-ventilated area.