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Chemistry

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Also known as: Ibmx, 28822-58-4, Isobutylmethylxanthine, 1-methyl-3-isobutylxanthine, Methylisobutylxanthine, 3-isobutyl-1-methylxanthine (ibmx)
Molecular Formula
C10H14N4O2
Molecular Weight
222.24  g/mol
InChI Key
APIXJSLKIYYUKG-UHFFFAOYSA-N
FDA UNII
TBT296U68M

Isobutylmethylxanthine
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
1 2D Structure

Isobutylmethylxanthine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
2.1.2 InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
2.1.3 InChI Key
APIXJSLKIYYUKG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
2.2 Other Identifiers
2.2.1 UNII
TBT296U68M
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1 Methyl 3 Isobutylxanthine

2. 1-methyl-3-isobutylxanthine

3. 3 Isobutyl 1 Methylxanthine

4. Ibmx

5. Isobutyltheophylline

2.3.2 Depositor-Supplied Synonyms

1. Ibmx

2. 28822-58-4

3. Isobutylmethylxanthine

4. 1-methyl-3-isobutylxanthine

5. Methylisobutylxanthine

6. 3-isobutyl-1-methylxanthine (ibmx)

7. 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-

8. Xanthine, 3-isobutyl-1-methyl-

9. 3-isobutyl-1-methyl-1h-purine-2,6(3h,7h)-dione

10. 3-isobutyl-1-methyxanthine

11. 1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione

12. 3-isobutyl-1-methyl-3,9-dihydro-1h-purine-2,6-dione

13. 3-isobutyl-1-methyl-7h-xanthine

14. 3,7-dihydro-3-isobutyl-1-methyl-1h-purine-2,6-dione

15. Nsc 165960

16. Chebi:34795

17. C10h14n4o2

18. 3-isobutyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione

19. 2-acetoxy-benzoic Acid

20. 3-isobutyl-methylxanthine

21. Nsc165960

22. 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1h-purine-2,6-dione

23. 3-isobutyl-1-methyl-xanthine

24. Chembl275084

25. Tbt296u68m

26. Nsc-165960

27. Sc 2964

28. 1-methyl-3-(2-methylpropyl)-3,9-dihydro-1h-purine-2,6-dione

29. 3,7-dihydro-1-methyl-3-(2-methylpropyl)-1h-purine-2,6-dione

30. Methyl-isobutylxanthine

31. 3-isobutyl 1-methylxanthine

32. Smr000326697

33. Ccris 4290

34. Sr-01000075185

35. Einecs 249-259-3

36. Mfcd00005584

37. Unii-tbt296u68m

38. 1zkl

39. 1zkn

40. 3ecn

41. 3itu

42. 3jwr

43. 2hd1

44. 2r8q

45. 3qi4

46. Spectrum2_001705

47. Spectrum2_001735

48. Spectrum3_001958

49. Spectrum4_001052

50. Spectrum5_001856

51. Lopac-i-5879

52. Molmap_000030

53. 3-isobutyl-1-methylanxthine

54. Lopac0_000642

55. Oprea1_135287

56. Oprea1_228781

57. Schembl50315

58. 3-isobutyl-1-methylxantliine

59. Bspbio_001153

60. Bspbio_003558

61. Gtpl388

62. Kbiogr_000493

63. Kbiogr_001344

64. Kbiogr_002566

65. Kbioss_000493

66. Kbioss_002575

67. 1-methyl-3-isobutyl-xanthine

68. Mls001056732

69. Mls001066424

70. Divk1c_000922

71. Spectrum1505298

72. Spectrum2300204

73. Spbio_001690

74. Spbio_001810

75. Dtxsid0040549

76. Bcbcmap01_000110

77. Bdbm15336

78. Chebi:43253

79. Hms502o04

80. Kbio1_000922

81. Kbio2_000493

82. Kbio2_002566

83. Kbio2_003061

84. Kbio2_005134

85. Kbio2_005629

86. Kbio2_007702

87. Kbio3_000905

88. Kbio3_000906

89. Kbio3_002878

90. Kbio3_003044

91. 3-isobutyl-1-methyl-9h-xanthine

92. Cmap_000087

93. Ninds_000922

94. 1-methyl-3-(2-methylpropyl)-1,3,7-trihydropurine-2,6-dione

95. Bio1_000456

96. Bio1_000945

97. Bio1_001434

98. Bio2_000407

99. Bio2_000887

100. Hms1362i15

101. Hms1792i15

102. Hms1990i15

103. Hms2090j10

104. Hms2231c11

105. Hms3262a05

106. Hms3369e16

107. Hms3403i15

108. Hms3604d14

109. Hms3648o18

110. Albb-024315

111. Bcp13248

112. Zinc3861807

113. Tox21_500642

114. 3-isobuthyl-1-methylxanthine

115. Bdbm50027176

116. Ccg-39513

117. Ccg-39624

118. Hsci1_000261

119. Pdsp1_000324

120. Pdsp2_000322

121. S5836

122. Stl558248

123. Akos003390599

124. Akos015903085

125. Cs-3361

126. Db07954

127. Lp00642

128. Sc-2964

129. Sdccgsbi-0050622.p003

130. Idi1_000922

131. Idi1_002162

132. Ncgc00015559-01

133. Ncgc00015559-02

134. Ncgc00015559-03

135. Ncgc00015559-04

136. Ncgc00015559-05

137. Ncgc00015559-06

138. Ncgc00015559-07

139. Ncgc00015559-08

140. Ncgc00015559-09

141. Ncgc00015559-10

142. Ncgc00015559-11

143. Ncgc00015559-21

144. Ncgc00094009-01

145. Ncgc00094009-02

146. Ncgc00094009-03

147. Ncgc00094009-04

148. Ncgc00094009-05

149. Ncgc00094009-06

150. Ncgc00261327-01

151. Xanthine, 1-methyl-3-(2-methylpropyl)

152. As-71134

153. Bi164529

154. Hy-12318

155. Ibmx(nsc165960; Sc2964)

156. 3-isobutyl-1-methyl-7h-purine-2,6-dione

157. Db-047466

158. [eur J Pharmacol 170: 35 (1989)]

159. B7206

160. Eu-0100642

161. Ft-0615920

162. Wln: T56 Bm Dn Fnvnvj F1y1&1 H1

163. D71221

164. I 5879

165. 3-isobutyl-1-methylxanthine, Bioultra, >=99%

166. 822i584

167. A876607

168. L001156

169. Q223093

170. 3-isobutyl-1-methylxanthine - Cas 28822-58-4

171. J-640140

172. J-800144

173. Sr-01000075185-1

174. Sr-01000075185-6

175. 3-isobutyl-1-methylxanthine, >=99% (hplc), Powder

176. Brd-k94979336-001-06-9

177. Brd-k94979336-001-09-3

178. 1h-purine-2, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-

179. Imx;isobutylmethylxanthine;methylisobutylxanthine;nsc165960;sc2964

180. 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1h-purine-2,6-dione

181. 1-methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1h-purine-2,6-dione

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 222.24 g/mol
Molecular Formula C10H14N4O2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass222.11167570 g/mol
Monoisotopic Mass222.11167570 g/mol
Topological Polar Surface Area69.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Phosphodiesterase Inhibitors

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


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Isobutylmethylxanthine Manufacturers

A Isobutylmethylxanthine manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Isobutylmethylxanthine, including repackagers and relabelers. The FDA regulates Isobutylmethylxanthine manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Isobutylmethylxanthine API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Isobutylmethylxanthine Suppliers

A Isobutylmethylxanthine supplier is an individual or a company that provides Isobutylmethylxanthine active pharmaceutical ingredient (API) or Isobutylmethylxanthine finished formulations upon request. The Isobutylmethylxanthine suppliers may include Isobutylmethylxanthine API manufacturers, exporters, distributors and traders.

click here to find a list of Isobutylmethylxanthine suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Isobutylmethylxanthine USDMF

A Isobutylmethylxanthine DMF (Drug Master File) is a document detailing the whole manufacturing process of Isobutylmethylxanthine active pharmaceutical ingredient (API) in detail. Different forms of Isobutylmethylxanthine DMFs exist exist since differing nations have different regulations, such as Isobutylmethylxanthine USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Isobutylmethylxanthine DMF submitted to regulatory agencies in the US is known as a USDMF. Isobutylmethylxanthine USDMF includes data on Isobutylmethylxanthine's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Isobutylmethylxanthine USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Isobutylmethylxanthine suppliers with USDMF on PharmaCompass.

Isobutylmethylxanthine GMP

Isobutylmethylxanthine Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Isobutylmethylxanthine GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Isobutylmethylxanthine GMP manufacturer or Isobutylmethylxanthine GMP API supplier for your needs.

Isobutylmethylxanthine CoA

A Isobutylmethylxanthine CoA (Certificate of Analysis) is a formal document that attests to Isobutylmethylxanthine's compliance with Isobutylmethylxanthine specifications and serves as a tool for batch-level quality control.

Isobutylmethylxanthine CoA mostly includes findings from lab analyses of a specific batch. For each Isobutylmethylxanthine CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Isobutylmethylxanthine may be tested according to a variety of international standards, such as European Pharmacopoeia (Isobutylmethylxanthine EP), Isobutylmethylxanthine JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Isobutylmethylxanthine USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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