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3-Isobutyl-1-methylxanthine

3-Isobutyl-1-methylxanthine structure

CAS No:
28822-58-4
Formula:
C10H14N4O2
Chemical Name:
3-Isobutyl-1-methylxanthine
Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-1-methyl-3-(2-methylpropyl)-;Xanthine,3-isobutyl-1-methyl-;1H-Purine-2,6-dione,3,7-dihydro-1-methyl-3-(2-methylpropyl)-;3,9-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione;1-Methyl-3-isobutylxanthine;3-Isobutyl-1-methylxanthine;Isobutylmethylxanthine;SC 2964;IBMX;Methylisobutylxanthine;IMX;NSC 165960;1-Methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione;3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione;3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

IBMX is a broad-spectrum phosphodiesterase (PDE) inhibitor, with IC50s of 6.5, 26.3 and 31.7 μM for PDE3, PDE4 and PDE5, respectively.

3-isobutyl-1-methyl-9H-xanthine is a 3-isobutyl-1-methylxanthine. It derives from a 9H-xanthine. It is a tautomer of a 3-isobutyl-1-methyl-7H-xanthine.|A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES

3-Isobutyl-1-methylxanthine Basic Attributes

Molecular Weight：

222.24

Exact Mass：

222.24

EC Number：

249-259-3

UNII：

TBT296U68M

NSC Number：

165960

DSSTox ID：

DTXSID0040549

HScode：

2942000000

Characteristics

PSA：

69.3

XLogP3：

1.5

Appearance：

off-white powder

Density：

1.3±0.1 g/cm3

Melting Point：

200-201 °C

Boiling Point：

445.6°C at 760 mmHg

Flash Point：

223.3±26.5 °C

Refractive Index：

1.569

Water Solubility：

DMSO: 1 M with gentle warming

Storage Conditions：

−20°C

Vapor Pressure：

3.89E-08mmHg at 25°C

Collision Cross Section：

147.8 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

24/25

RTECS Number：

ZD8500000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 130 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases. (See all compounds classified as Phosphodiesterase Inhibitors.)

MeSH Entry Terms：

1 Methyl 3 isobutylxanthine

3-Isobutyl-1-methylxanthine Use and Manufacturing

phosphodiesterase inhibitor

Computed Properties

Molecular Weight:222.24
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.11167570
Monoisotopic Mass:222.11167570
Topological Polar Surface Area:69.3
Heavy Atom Count:16
Complexity:318
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Isobutyl-1-methylxanthine

Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
2 YRS

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28822-58-43-Isobutyl-1-methylxanthine

CAS No.: 28822-58-4

Grade: Reagent Grade

Content: 99%

Inquiry
Creative Enzymes Contact Supplier

US
6 YRS

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Manufactory Supplier of Coenzymes,Inhibito,Enzymes,Zymogens,Substrates

IBMX

CAS No.: 28822-58-4

Content: 98%

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Guide of 3-Isobutyl-1-methylxanthine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Isobutyl-1-methylxanthine

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