Peldesine , CAS No.133432-71-0

CAS: 133432-71-0 Cat. No.: P647043 分子式: C12H11N5O 分子量: 241.25 PubChem CID: 135413525
注文可能
Synonyms
7B646RJ70F | BCX-34 | UNII-7B646RJ70F | BC3 | DTXSID10158107 | 9-(3-Pyridylmethyl)-7H-9-deazaguanine | PELDESINE [MART.] | Peldesine [USAN] | PELDESINE | peldesine,BCX-34 | 2-Amino-3,5-dihydro-7-(3-pyridylmethyl)-4H-pyrrolo[3,2-d]pyrimidin-4-one | AKOS040
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
P647043-5mg
受注生産 · 8~12週間
$700.90
10mg
P647043-10mg
受注生産 · 8~12週間
$1,120.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Peldesine (BCX 34) is a potent, competitive, reversible and orally active purine nucleoside phosphorylase (PNP) inhibitor with IC 50 s of 36 nM, 5 nM, and 32 nM for human, rat, and mouse red blood cell (RBC) PNP , respectively. Peldesine is also a T-cell proliferation inhibitor with an IC 50 of 800 nM. Peldesine has the potential for cutaneous T-cell lymphoma, psoriasis and HIV infection research

In Vitro

Peldesine (BCX 34; 0-50 µM; 72 hours; Jurkat cells) could inhibit the T-cell proliferation completely at a concentration of less than 10 μM, in the presence of dGuo (10 μM). In contrast, the B-cell proliferation is not affected by Peldesine. Peldesine (BCX 34) suppresses T-cell immune reaction in an IL-2-independent manner, and this means that Peldesine might affect a late phase rather than an early stage in T-cell activation. Peldesine also, in the presence but not in the absence of deoxyguanosine, inhibits human leukemia CCRF-CEM T-cell proliferation with an IC 50 of 0.57 μM but not rat or mouse T-cell proliferation up to 30 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: Jurkat cells Concentration: 0 µM, 10 µM, 20 µM, 30 µM, 40 µM, 50 µM Incubation Time: 72 hours Result: In the presence of 10 µM dCuo, had a complete inhibitory effect for T-cell lines.

In Vivo

Oral bioavailability of Peldesine in rats is 76%. Peldesine is orally active in elevating plasma inosine in rats (2-fold at 30 mg/kg), in suppressing ex vivo RBC PNP activity in rats (98% at 3 h. 100 mg/kg), and in suppressing ex vivo skin PNP in mice (39% at 3 h, 100 mg/kg). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 36 nM (Human RBC PNP), 5 nM (Rat RBC PNP), 32 nM (Mouse RBC PNP), and 800 nM (Human T-cell proliferation), Ki: 23 nM (Human RBC PNP),HIV

Specifications

同義語
7B646RJ70F | BCX-34 | UNII-7B646RJ70F | BC3 | DTXSID10158107 | 9-(3-Pyridylmethyl)-7H-9-deazaguanine | PELDESINE [MART.] | Peldesine [USAN] | PELDESINE | peldesine,BCX-34 | 2-Amino-3,5-dihydro-7-(3-pyridylmethyl)-4H-pyrrolo[3,2-d]pyrimidin-4-one | AKOS040
生化学的・生理学的メカニズム
Peldesine (BCX 34) is a potent, competitive, reversible and orally active purine nucleoside phosphorylase (PNP) inhibitor with IC 50 s of 36 nM, 5 nM, and 32 nM for human, rat, and mouse red blood cell (RBC) PNP , respectively. Peldesine is also a T-cell
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
名前と識別子
カノニカル・スマイル
C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N
IUPAC Name
2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
InChIKey
DOHVAKFYAHLCJP-UHFFFAOYSA-N
INCHI
1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
異性体SMILES
C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N
代替CAS番号
133432-71-0
PubChem CID
135413525
MeSH用語
9-(3-pyridylmethyl)-7H-9-deazaguanine;BCX 34;BCX-34;peldesine
分子量
241.25

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Pyrrolopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolopyrimidines
Alternative Parents Pyrimidones  Aminopyrimidines and derivatives  Substituted pyrroles  Pyridines and derivatives  Vinylogous amides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolopyrimidine - Aminopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
PNP Tclin Purine nucleoside phosphorylase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Pnp Purine-nucleoside phosphorylase (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pnp Purine nucleoside phosphorylase (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 200 mg/mL (829.02 mM; Need ultrasonic)
分子量241.250 g/mol
XLogP30.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass241.096 Da
Monoisotopic Mass241.096 Da
Topological Polar Surface Area96.200 Ų
Heavy Atom Count18
Formal Charge0
Complexity369.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

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よくある質問

How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 133432-71-0, the molecular formula is C12H11N5O, and the molecular weight is 241.25 g/mol. InChIKey DOHVAKFYAHLCJP-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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