Danusertib

Catalog Number	ACM827318978
CAS Number	827318-97-8
Synonyms	Danusertib (PHA-739358)
IUPAC Name	N-[5-[(2R)-2-Methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
Molecular Weight	474.55
Molecular Formula	C26H30N6O3
Canonical SMILES	CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OC
InChI	InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
InChI Key	XKFTZKGMDDZMJI-HSZRJFAPSA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	731
Exact Mass	474.23793884
Heavy Atom Count	35
Isomeric SMILES	CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OC
Monoisotopic Mass	474.23793884
Topological Polar Surface Area	93.8Ų

Custom Q&A

What is the chemical formula of Danusertib?

The chemical formula of Danusertib is C26H30N6O3.

What is the molecular weight of Danusertib?

The molecular weight of Danusertib is 474.55.

What is the melting point of Danusertib?

The melting point of Danusertib is greater than 145°C.

What is the primary use of Danusertib?

Danusertib is an Aurora kinase inhibitor used to treat patients with chronic myeloid leukemia.

What is the biological activity of Danusertib?

Danusertib is a potent small-molecule inhibitor of aurora kinases with dominant inhibition for aurora b kinase and is able to inhibit several tyrosine kinases involved in multiple malignancies, such as CML, ALL, thyroid prostate, and breast carcinoma.

What is one of the key targets of Danusertib in terms of inhibiting kinase activity?

Aurora A/B/C kinases are key targets for Danusertib in inhibiting kinase activity.

What is the storage temperature recommended for Danusertib?

Danusertib should be stored in a refrigerator.

What solvents is Danusertib slightly soluble in?

Danusertib is slightly soluble in DMSO and methanol.

What are some of the synonyms for Danusertib?

Some synonyms for Danusertib include PHA-739358 and Benzamide.

How does Danusertib show antitumor activity in various animal tumor models?

Danusertib exhibits remarkable antitumor activity in various animal tumor models with a favorable pharmacokinetic and safety profile.

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