Aprutumab ixadotin

CAT: 0931-T9901A-230-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T9901A-230-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1708947-48-1

Target

FGFR, Antibody-Drug Conjugates (ADCs), Apoptosis, Microtubule Associated

Related Pathways

Tyrosine Kinase/Adaptors, Angiogenesis, Cytoskeletal Signaling, Antibody-drug Conjugate/ADC Related, Apoptosis

Bioactivity

Aprutumab ixadotin (BAY 1187982) is the first antibody-drug conjugate (ADC) targeting FGFR2, and is also the inaugural ADC to employ an auristatin-based active payload.

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Aprutumab Ixadotin

Aprutumab Ixadotin is an antibody-drug conjugate (ADC) directed against the fibroblast growth factor receptor type 2 (FGFR2) and conjugated, via a non-cleavable linker, to BAY 1168650, an auristatin W derivative and microtubule-disrupting cytotoxic agent, with potential antineoplastic activity. Upon intravenous administration, aprutumab ixadotin binds to FGFR2. Upon binding, BAY 1168650 targets and binds to tubulin, and inhibits microtubule polymerization. This results in G2/M phase cell cycle arrest and apoptosis in FGFR2-expressing tumor cells. FGFR2, a receptor tyrosine kinase upregulated in many tumor cell types, plays an essential role in tumor cell proliferation, differentiation and survival.

CAS Number	1708947-48-1
PubChem CID	71471223
IUPAC Name	(2S)-2-amino-6-[6-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-3-(1H-indol-3-yl)-1-(oxazinan-2-yl)-1-oxopropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]hexanoylamino]hexanoic acid
Molecular Formula	C57H95N9O11
Molecular Weight	1082.4
XLogP	3.2
Topological Polar Surface Area	258
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	33
Heavy Atom Count	77
Formal Charge	0
Complexity	1880

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N4CCCCO4)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)CCCCCC(=O)NCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C57H95N9O11/c1-12-38(6)51(64(9)56(72)49(36(2)3)62-54(70)50(37(4)5)63(8)29-19-13-14-27-47(67)59-28-18-17-24-42(58)57(73)74)46(75-10)34-48(68)65-30-22-26-45(65)52(76-11)39(7)53(69)61-44(55(71)66-31-20-21-32-77-66)33-40-35-60-43-25-16-15-23-41(40)43/h15-16,23,25,35-39,42,44-46,49-52,60H,12-14,17-22,24,26-34,58H2,1-11H3,(H,59,67)(H,61,69)(H,62,70)(H,73,74)/t38-,39+,42-,44-,45-,46+,49-,50-,51-,52+/m0/s1

InChIKey

RCSZIBSPHRZNRQ-BTZXMIIFSA-N

Chemical Structure

2D Structure

CAS: 1708947-48-1

CID: 71471223

Formula: C57H95N9O11

MW: 1082.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1082.4
XLogP3	3.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	33
Exact Mass	1081.71510488
Monoisotopic Mass	1081.71510488
Topological Polar Surface Area	258 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	1880
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Aprutumab ixadotin

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