Crotonoside

• CAS: 1818-71-9
• Catalog Number: ACM1818719
• Category: Inhibitors
• Molecular Weight: 283.24
• Description: Crotonoside is isolated from Chinese medicinal herb, Croton. Crotonoside inhibits FLT3 and HDAC3/6, exhibits selective inhibition in acute myeloid leukemia (AML) cells. Crotonoside could be a promising new lead compound for the research of AML.
• Synonyms: 1,2-Dihydro-2-oxoadenosine
• InChI: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
• InChI Key: MIKUYHXYGGJMLM-UUOKFMHZSA-N
• Melting Point: 237-241 °C
• Complexity: 544
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 283.09166853
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 5
• Isomeric SMILES: C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
• Monoisotopic Mass: 283.09166853
• Physical State: Powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 153 Ų

Custom Q&A

What is the molecular formula of Crotonoside?

The molecular formula of Crotonoside is C10H13N5O5.

What is the melting point of Crotonoside?

The melting point of Crotonoside is 237-241 °C.

In what type of solvents is Crotonoside soluble?

Crotonoside is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the storage temperature recommended for Crotonoside?

The recommended storage temperature for Crotonoside is -20°C.

What safety statements are associated with Crotonoside?

Safety Statements 24/25 are associated with Crotonoside.

What is the chemical category of Crotonoside?

Crotonoside falls under the category of chemical reagent, pharmaceutical intermediate, phytochemical, and reference standards from Chinese medicinal herbs (TCM).

What is the target of Crotonoside in biological systems?

Crotonoside targets the Adenosine Receptor.

What is the usage of Crotonoside?

Crotonoside is an isoquinoline alkaloid displaying anticancer activity.

What is the density of Crotonoside?

The density of Crotonoside is 2.25±0.1 g/cm3.

What is the CAS number of Crotonoside?

The CAS number of Crotonoside is 1818-71-9.

Synthetic Use

Upstream Synthesis Route 1

• 135041-24-6

• 1818-71-9

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991, # 4, p. 771 - 774
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991, # 4, p. 771 - 774

Upstream Synthesis Route 2

• 17651-21-7

• 1818-71-9

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991, # 4, p. 771 - 774

Upstream Synthesis Route 3

• 2096-10-8

• 146-78-1
• 1818-71-9

Reference: [1] Nucleosides and Nucleotides, 1994, vol. 13, # 1-3, p. 673 - 678

Upstream Synthesis Route 4

• 2096-10-8

• 1818-71-9

Reference: [1]Journal of Medicinal Chemistry,2020,vol. 63,p. 2941 - 2957
[2]Journal of the American Chemical Society,1951,vol. 73,p. 3174
[3]PLoS ONE,2018,vol. 13

Upstream Synthesis Route 5

• 17651-21-7

• 1818-71-9

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1991,p. 771 - 774

Upstream Synthesis Route 6

• 2627-69-2
• 532-55-8

• 1818-71-9

Reference: [1]Journal of the American Chemical Society,1993,vol. 115,p. 4461 - 4467