Products for Research Use Only
RegisterLogin

Anticancer agent 81

CAT: 0013-GTR19220796-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19220796-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Anticancer agent 81 (Compound 37b3) is a cytotoxic small molecule that induces cell cycle arrest and apoptosis. It functions as an effective payload in antibody-drug conjugates (ADCs), such as T-PBA, which utilizes Trastuzumab for targeted delivery and internalization into cancer cells for research applications.
CAS Number
2820286-56-2
Field of Research
Cell Biology
Molecular Formula
C46H46N6O5
Molecular Weight
762.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 81
CAS Number2820286-56-2
PubChem CID164946732
IUPAC Name15-[2-[4-[5-[[(6aS)-8-(4-aminophenyl)-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentyl]piperazin-1-yl]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
Molecular FormulaC46H46N6O5
Molecular Weight762.9
XLogP5.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count57
Formal Charge0
Complexity1510
SMILES
COC1=C(C=C2C(=C1)C(=O)N3C=C(C[C@H]3C=N2)C4=CC=C(C=C4)N)OCCCCCN5CCN(CC5)CCN6C(=O)C7=CC=CC8=CC9=CC=CC=C9C(=C87)C6=O
InChI
InChI=1S/C46H46N6O5/c1-56-40-26-38-39(48-28-35-25-33(29-52(35)45(38)54)30-12-14-34(47)15-13-30)27-41(40)57-23-6-2-5-16-49-17-19-50(20-18-49)21-22-51-44(53)37-11-7-9-32-24-31-8-3-4-10-36(31)43(42(32)37)46(51)55/h3-4,7-15,24,26-29,35H,2,5-6,16-23,25,47H2,1H3/t35-/m0/s1
InChIKey
OQPINPWCKSKRPT-DHUJRADRSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 81
CAS: 2820286-56-2
CID: 164946732
Formula: C46H46N6O5
MW: 762.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight762.9
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass762.35296859
Monoisotopic Mass762.35296859
Topological Polar Surface Area121 Ų
Heavy Atom Count57
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19217714-01Anticancer agent 172
GTR19217703Anticancer agent 149
GTR19217701-01Anticancer agent 131
GTR19212756-01Anticancer agent 59
GTR19212755-01Anticancer agent 66
GTR19212751-01Anticancer agent 99
GTR19188164-01Anticancer agent 38
GTR19187174-01Anticancer agent 29
GTR19186961-01Anticancer agent 83
GTR19186854-01Anticancer agent 56

Alternative Products

CatalogName
C8452-10Anticancer agent 43
HY-179298Anticancer agent 283
HY-178937Anticancer agent 284
HY-175598Anticancer agent 278
HY-174392Anticancer agent 275
HY-173075Anticancer agent 267
HY-172784Anticancer agent 273
HY-169907Anticancer agent 258
HY-169906Anticancer agent 257
HY-155158Anticancer agent 147

Popular Products