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2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one | CAS No. 1441190-66-4

2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one

Basic Information

Chemical_Structure_Of
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CAS Number

1441190-66-4

Molecular Formula

C20H24N10O13P2

Molecular Weight

674.42 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Insecticides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6nc([nH]c7=O)N)O)O)O)N

InChI

InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

InChIKey

XRILCFTWUCUKJR-INFSMZHSSA-N

LogP

-2.3414999999999977

Topological Polar Surface Area

329.65000000000003 Ų

Hydrogen Bond Donor/Acceptor

9 / 23

Complexity

1300

Synonyms & References

English

  • 2'3'-Cgamp
  • cGAMP(2'-5')
  • Cyclic Gp(2'-5')Ap(3'-5')
  • Cyclic guanosine monophosphate-adenosine monophosphate
  • 2'3'-Cyclic guanosine monophosphate-adenosine monophosphate
  • C20640
  • 552Y49K43E
  • C(g(2',5')pa(3',5')P)
  • c[G(2',5')pA(3',5')p]
  • 1SY
  • 2'-o,5'-O-((Adenosine-3'-o,5'-o-diyl)bisphosphinico)guanosine
  • 2'-O,5'-O-[(Adenosine-3'-O,5'-O-diyl)bisphosphinico]guanosine
  • 2',3'-cGAMP

MDL Number

MFCD31563596

FAQ

What are the physical and chemical properties of 2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin-6-one (CAS: 1441190-66-4)?
This compound is a crystalline solid with a high molecular weight and is moderately soluble in water. It exhibits a low reactivity under normal conditions but may undergo hydrolysis in aqueous solutions. The compound has a complex structure with multiple functional groups, including amino, hydroxyl, and phosphorus oxygens.

How is 2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin-6-one (CAS: 1441190-66-4) typically synthesized?
This compound is synthesized via multi-step organic reactions, including condensation, nucleophilic substitution, and cyclization. The synthesis involves the use of specific catalysts and reagents to achieve high selectivity and yield. Detailed procedures and conditions are typically found in the literature.

What industries use 2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin-6-one (CAS: 1441190-66-4)?
This compound is primarily used in the pharmaceutical industry for developing novel therapeutic agents. It may also find use in polymer chemistry, sensors, and semiconductors due to its unique chemical structure and functional groups.

What precautions should be taken when handling 2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin-6-one (CAS: 1441190-66-4)?
This compound should be handled in a fume hood with appropriate Personal Protective Equipment (PPE), including gloves, lab coat, and safety goggles. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated. Ensure you have a Safety Data Sheet (SDS) available for reference during handling and disposal.

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Supplier Information

2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one — Shanghai Jixiang Biotechnology Co., Ltd.

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2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one — Shanghai SameSharp Biotechnology Co., Ltd.

Shanghai SameSharp Biotechnology Co., Ltd.

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2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one — MedChemExpress LLC

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Wuhan Dopula Biopharmaceutical Co., Ltd.

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Shanghai Jieshukai Biotechnology Co., Ltd.

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2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one — ShangHaiMaiRuiErShengHua Technology Co Ltd

ShangHaiMaiRuiErShengHua Technology Co Ltd

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Shanghai Kezuo Yongxin Biological Technology Co., Ltd.

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2-Amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxido-2,4,7,11,13,16-hexaoxa-3,12-diphosphatricyclo[13.2.1.0~6,10~]octadec-17-yl]-1,9-dihydro-6H-purin- 6-one — Beijing Huawei Ruike Chemical Co., Ltd.

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