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2',3'-O-Isopropylideneinosine - 98%, high purity , CAS No.2140-11-6

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2',3'-O-Isopropylideneinosine - 98%, high purity , CAS No.2140-11-6

COA

Grade & Purity:

≥98%

Cas Number: 2140-11-6
Molecular Weight: 308.29
Beilstein Registry Number: 26(3/4)2096
MDL number: MFCD00038002
PubChem CID: 135458972
PubChem SID: 504773343

In stock

Item Number

I119513

Grouped product items
SKU	Size	Availability	Price
I119513-1g	1g	4	$9.90
I119513-5g	5g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$20.90
I119513-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$94.90

View related series

Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	2',3'-o-(1-methylethylidene)inosine \| EINECS 218-388-7 \| LIEKLUBCIPVWQD-WOUKDFQISA-N \| MFCD00038002 \| SMR001318094 \| MLS002279957 \| AC7786 \| AKOS030489196 \| HMS2215O16 \| DS-18563 \| 2',3'-O-Isopropylideneinosine \| NSC 29925 \| AKOS015896929 \| SCHEMBL2291671
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Purine nucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleosides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Purine nucleosides
Alternative Parents	6-oxopurines Hypoxanthines Pyrimidones Ketals N-substituted imidazoles Monosaccharides Vinylogous amides Tetrahydrofurans 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Organonitrogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Ketal - Pyrimidone - Monosaccharide - N-substituted imidazole - Pyrimidine - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773343
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773343
IUPAC Name	9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one
INCHI	InChI=1S/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19)/t6-,8-,9-,12-/m1/s1
InChIKey	LIEKLUBCIPVWQD-WOUKDFQISA-N
Smiles	CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CNC4=O)CO)C
Isomeric SMILES	CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CNC4=O)CO)C
Molecular Weight	308.29
Beilstein	26(3/4)2096
Reaxy-Rn	43945787
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43945787&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
J1918124	Certificate of Analysis	Aug 01, 2023	I119513

Chemical and Physical Properties

Specific Rotation[α]	-61.0 to -71.0°(C=0.8, Methanol)
Molecular Weight	308.290 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	308.112 Da
Monoisotopic Mass	308.112 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	513.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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