(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol, 95%

Name: (2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Brand: Chempure
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CAS Number

73-03-0

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IUPAC name	(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
inchi	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
inchi key	OFEZSBMBBKLLBJ-BAJZRUMYSA-N
molecular formula	C10H13N5O3
synonyms	Cordycepin 3'-Deoxyadenosine 73-03-0 Cordycepine 9-Cordyceposidoadenine
Compound Description	Cordycepin is a 3'-deoxyribonucleoside and a member of adenosines. It has a role as an antimetabolite and a nucleoside antibiotic. Cordycepin has been used in trials studying the treatment of Leukemia. Cordycepin has been reported in Cordyceps militaris, Streptomyces sparsogenes, and other organisms with data available. Cordycepin is a purine nucleoside antimetabolite and antibiotic isolated from the fungus Cordyceps militaris with potential antineoplastic, antioxidant, and anti-inflammatory activities. Cordycepin is an inhibitor of polyadenylation, activates AMP-activated protein kinase and reduces mammalian target of rapamycin signaling, which may result in both the induction of tumor cell apoptosis and a decrease in tumor cell proliferation. mTOR, a serine/threonine kinase belonging to the phosphatidylinositol 3-kinase -related kinase family, plays an important role in the PI3K/AKT/mTOR signaling pathway that regulates cell growth and proliferation, and its expression or activity is frequently dysregulated in human cancers. CORDYCEPIN is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.

Computed Properties

Molecular Weight:	251.24 g/mol
XLogP3:	-1.2
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	2
Exact Mass:	251.10183929 g/mol
Monoisotopic Mass:	251.10183929 g/mol
Topological Polar Surface Area:	119 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	307
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	3
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (95.2%) Skin Irrit. 2 (97.6%) Eye Irrit. 2 (97.6%) STOT SE 3 (92.9%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

IUPAC name	(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
inchi	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
inchi key	OFEZSBMBBKLLBJ-BAJZRUMYSA-N
molecular formula	C10H13N5O3
synonyms	Cordycepin 3'-Deoxyadenosine 73-03-0 Cordycepine 9-Cordyceposidoadenine
Compound Description	Cordycepin is a 3'-deoxyribonucleoside and a member of adenosines. It has a role as an antimetabolite and a nucleoside antibiotic. Cordycepin has been used in trials studying the treatment of Leukemia. Cordycepin has been reported in Cordyceps militaris, Streptomyces sparsogenes, and other organisms with data available. Cordycepin is a purine nucleoside antimetabolite and antibiotic isolated from the fungus Cordyceps militaris with potential antineoplastic, antioxidant, and anti-inflammatory activities. Cordycepin is an inhibitor of polyadenylation, activates AMP-activated protein kinase and reduces mammalian target of rapamycin signaling, which may result in both the induction of tumor cell apoptosis and a decrease in tumor cell proliferation. mTOR, a serine/threonine kinase belonging to the phosphatidylinositol 3-kinase -related kinase family, plays an important role in the PI3K/AKT/mTOR signaling pathway that regulates cell growth and proliferation, and its expression or activity is frequently dysregulated in human cancers. CORDYCEPIN is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.

Computed Properties

Molecular Weight:	251.24 g/mol
XLogP3:	-1.2
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	2
Exact Mass:	251.10183929 g/mol
Monoisotopic Mass:	251.10183929 g/mol
Topological Polar Surface Area:	119 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	307
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	3
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (95.2%) Skin Irrit. 2 (97.6%) Eye Irrit. 2 (97.6%) STOT SE 3 (92.9%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CM6083

(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol, 95%

Product No: CM6083

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: CM6083

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?