Products for Research Use Only
RegisterLogin

DCC-3116

CAT: 0127-BUP01756-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP01756-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2543673-19-2
Synonyms
DCC3116
Purity
=98%
Smiles
O=C1N(CCOCC1)CCCNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3CC)N4CCN(C)CC4

Chemical Information

Inlexisertib

Inlexisertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Inlexisertib is a serine/threonine kinase inhibitor. Inlexisertib is under investigation in clinical trial NCT05957367 (A Study of Inlexisertib (DCC-3116) in Combination With Anticancer Therapies in Participants With Advanced Malignancies). Inlexisertib has a monoisotopic molecular weight of 535.29 Da.

CAS Number2543673-19-2
PubChem CID155269708
IUPAC Name4-[3-[[2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
Molecular FormulaC26H36F3N7O2
Molecular Weight535.6
XLogP3.4
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity738
SMILES
CCC1=C(C=CC(=C1)N2CCN(CC2)C)NC3=NC=C(C(=N3)NCCCN4CCOCCC4=O)C(F)(F)F
InChI
InChI=1S/C26H36F3N7O2/c1-3-19-17-20(35-12-10-34(2)11-13-35)5-6-22(19)32-25-31-18-21(26(27,28)29)24(33-25)30-8-4-9-36-14-16-38-15-7-23(36)37/h5-6,17-18H,3-4,7-16H2,1-2H3,(H2,30,31,32,33)
InChIKey
CNBTYICEJGEABG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Inlexisertib
CAS: 2543673-19-2
CID: 155269708
Formula: C26H36F3N7O2
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass535.28825790
Monoisotopic Mass535.28825790
Topological Polar Surface Area85.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP05044RX-3117
OR1078025Ro 41-3118
OR1022841-01Zanubrutinib (BGB-3111)

Alternative Products

CatalogName
C01977-25mgDCC-3116
A24524-10DCC-3116 10mg
A24524-5DCC-3116 5mg
A24524-100DCC-3116 100mg
A24524-50DCC-3116 50mg
034497Dcc, CT (Dcc, Netrin receptor DCC, Tumor suppressor protein DCC)
FD05508-01DCC
HY-R00546A-01Hsa-miR-3116 agomir
HY-RI00546A-01Hsa-miR-3116 antagomir
HY-RI00546-01Hsa-miR-3116 inhibitor

Popular Products