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Rovalpituzumab tesirine

CAT: 0931-T9901A-893-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9901A-893-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1613313-09-9
Target
Antibody-Drug Conjugates (ADCs), Gamma-secretase
Related Pathways
Antibody-drug Conjugate/ADC Related, Stem Cells, Neuroscience, Proteases/Proteasome
Bioactivity
Rovalpituzumab tesirine (SC-002) is an antibody-drug conjugate (ADC) with anticancer properties. It consists of the DLL3-targeting antibody, Rovalpituzumab, which is linked to a cytotoxic pyrrolobenzodiazepine compound via a protease-cleavable linker. Rovalpituzumab tesirine is utilized in research concerning small cell lung cancer (SCLC) .
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rovalpituzumab Tesirine

Rovalpituzumab Tesirine has been used in trials studying the treatment of GLIOBLASTOMA, Malignant Melanoma, Other Solid Tumors, Small Cell Lung Cancer, and Medullary Thyroid Cancer, among others.

CAS Number1613313-09-9
PubChem CID131954443
IUPAC Name(2R)-3-[(3R)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-aminopropanoic acid
Molecular FormulaC78H108N10O25S
Molecular Weight1617.8
XLogP-1.6
Topological Polar Surface Area456
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count28
Rotatable Bond Count53
Heavy Atom Count114
Formal Charge0
Complexity3190
SMILES
CC1=CN2[C@@H](C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N([C@H]([C@@H]6CC(=CN6C5=O)C)O)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN8C(=O)C[C@H](C8=O)SC[C@@H](C(=O)O)N)OC
InChI
InChI=1S/C78H108N10O25S/c1-49(2)70(84-68(90)16-21-103-23-25-105-27-29-107-31-33-109-35-36-110-34-32-108-30-28-106-26-24-104-22-17-80-67(89)15-18-85-69(91)43-66(76(85)97)114-48-58(79)77(98)99)72(93)82-52(5)71(92)83-54-13-11-53(12-14-54)47-113-78(100)88-60-42-65(63(102-7)40-57(60)74(95)87-46-51(4)38-61(87)75(88)96)112-20-10-8-9-19-111-64-41-59-56(39-62(64)101-6)73(94)86-45-50(3)37-55(86)44-81-59/h11-14,39-42,44-46,49,52,55,58,61,66,70,75,96H,8-10,15-38,43,47-48,79H2,1-7H3,(H,80,89)(H,82,93)(H,83,92)(H,84,90)(H,98,99)/t52-,55-,58-,61-,66+,70-,75-/m0/s1
InChIKey
NQUUPTGRJYIXSL-YPDXTJLXSA-N
Chemical Structure
2D Structure
2D structure of Rovalpituzumab Tesirine
CAS: 1613313-09-9
CID: 131954443
Formula: C78H108N10O25S
MW: 1617.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1617.8
XLogP3-1.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count28
Rotatable Bond Count53
Exact Mass1616.72078014
Monoisotopic Mass1616.72078014
Topological Polar Surface Area456 Ų
Heavy Atom Count114
Formal Charge0
Complexity3190
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-128952GTesirine (GMP)
HY-164730-01Epratuzumab Tesirine
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