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2365-40-4 molecular structure
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N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine

ChemBase ID: 6371
Molecular Formular: C10H13N5
Molecular Mass: 203.24372
Monoisotopic Mass: 203.11709544
SMILES and InChIs

SMILES:
CC(=CCNc1c2nc[nH]c2ncn1)C
Canonical SMILES:
CC(=CCNc1ncnc2c1nc[nH]2)C
InChI:
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey:
HYVABZIGRDEKCD-UHFFFAOYSA-N

Cite this record

CBID:6371 http://www.chembase.cn/molecule-6371.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
IUPAC Traditional name
ipade
N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
Synonyms
N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Zeatin
Isopentenyladenine
2iP
6-(γ,γ-Dimethylallylamino)purine
N6-(Δ2-Isopentenyl)adenine
6-(γ,γ-DIMETHYLALLYLAMINO) PURINE
N6-(2-异戊烯基)腺嘌呤
6-(γ,γ-二甲基烯丙基氨基)嘌呤
CAS Number
2365-40-4
MDL Number
MFCD00132998
PubChem SID
24894153
24894149
24893984
160969699
PubChem CID
92180

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 9.867981  H Acceptors
H Donor LogD (pH = 5.5) 0.99724567 
LogD (pH = 7.4) 1.1265212  Log P 1.1319374 
Molar Refractivity 61.2109 cm3 Polarizability 22.302963 Å3
Polar Surface Area 66.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.2  LOG S -3.37 
Solubility (Water) 8.69e-02 g/l 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Mechanism of Action
Growth factor expand Show data source
Purity
≥90% expand Show data source
≥98.5% expand Show data source
Concentration
1 mg/mL expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
plant cell culture tested expand Show data source
Biological Source
Isol. from Corynebacterium fascians expand Show data source
Sterility
sterile-filtered expand Show data source
Application(s)
Highly active cytokinin expand Show data source
Quality Level
GMP expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195144 external link
[N6 -(Δ2 -Isopentenyl)adenine] Crystalline A plant cytokinin produced during mold development and a spore germination inhibitor. It also serves as a general kinase inhibitor.
DrugBank - DB08768 external link
Drug information: experimental
Sigma Aldrich - D7674 external link
Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.
Sigma Aldrich - D5912 external link
Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.
Sigma Aldrich - D7660 external link
Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Leonard, N.J. et al., Chem. Comm., 1967, 973, (synth)
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PATENTS

PATENTS

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INTERNET

INTERNET

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