Bufalin

Catalog Number	ACM465214-2
CAS Number	465-21-4
Synonyms	3,14-Dihydroxy-bufa-20,22-dienolide
IUPAC Name	5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Weight	386.52
Molecular Formula	C24H34O4
Canonical SMILES	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
InChI	InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
InChI Key	QEEBRPGZBVVINN-BMPKRDENSA-N
Purity	98%+(HPLC)
Appearance	White crystalline powder
Storage	Store at 4 °C, sealed, away from light (valid for 2 years under this condition).
Complexity	741
Exact Mass	386.24570956
Heavy Atom Count	28
Isomeric SMILES	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
Monoisotopic Mass	386.24570956
Topological Polar Surface Area	66.8Ų

Custom Q&A

What is the chemical formula of Bufalin?

The chemical formula of Bufalin is C24H34O4.

What is the melting point of Bufalin?

The melting point of Bufalin is 242-243°C.

What are some synonyms for Bufalin?

Some synonyms for Bufalin include 22-dienolide, 3,14-dihydroxy-, and BUFA-20,22-DIENOLIDE.

What are some of the storage characteristics recommended for Bufalin?

It is recommended to store Bufalin in a ventilated, low-temperature, and dry storeroom, separate from food raw materials.

What are the safety hazard codes associated with Bufalin?

The hazard code associated with Bufalin is T+.

How is Bufalin classified in terms of toxicity grading?

Bufalin is classified as highly toxic in terms of toxicity grading.

What are some of the uses of Bufalin?

Bufalin is used therapeutically for the treatment of heart disease, as well as for its anti-metastasis effects in various cancers.

What is the hazardous class of Bufalin?

Bufalin is classified as a hazardous class 6.1(a) substance.

What physiological actions does Bufalin have?

Bufalin is known to have anti-tumor functionality, promote autophagic cell death, and possess anti-inflammatory properties.

What are some of the enzyme inhibitors associated with Bufalin?

Bufalin is known to inhibit steroid receptors, such as SRC, and inhibit enzymes associated with tumor activity, such as MMP-2 and MMP-9.

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