CB07-Exatecan

CAT: 0931-T87855-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T87855-02Size:50 mg

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

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CAS Number

2879247-31-9

Target

Drug-Linker Conjugates for ADC, Topoisomerase

Related Pathways

Antibody-drug Conjugate/ADC Related, DNA Damage/DNA Repair

Bioactivity

CB07-Exatecan, an ADC drug-linker conjugate, is utilized in the synthesis of ADCs and has demonstrated effectiveness in inhibiting the growth of HER2-positive cancer cells when conjugated with trastuzumab. This compound is valuable in cancer research [1].

Smiles

N(C(OCC1=CC=C(NC([C@@H](NC([C@@H](NC([C@@H](NC(CN2C(=O)C=CC2=O)=O)CCNC(CCOCCOCCOCCOCCOCCOCCOCCOC)=O)=O)C(C)C)=O)CCCNC(N)=O)=O)C=C1)=O)[C@@H]3C4=C5C(C=6N(C5)C(=O)C7=C(C6)[C@](CC)(O)C(=O)OC7)=NC=8C4=C(CC3)C(C)=C(F)C8

Molecular Formula

C71H94FN11O22

Molecular Weight

1472.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CB07-Exatecan

CAS Number	2879247-31-9
PubChem CID	169494431
IUPAC Name	[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate
Molecular Formula	C71H94FN11O22
Molecular Weight	1472.6
XLogP	-1.6
Topological Polar Surface Area	430
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	46
Heavy Atom Count	105
Formal Charge	0
Complexity	3060

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CN8C(=O)C=CC8=O)O

InChI

InChI=1S/C71H94FN11O22/c1-6-71(95)49-36-55-63-47(38-82(55)67(91)48(49)41-104-68(71)92)61-51(14-13-46-43(4)50(72)37-54(78-63)60(46)61)80-70(94)105-40-44-9-11-45(12-10-44)76-64(88)52(8-7-19-75-69(73)93)79-66(90)62(42(2)3)81-65(89)53(77-57(85)39-83-58(86)15-16-59(83)87)17-20-74-56(84)18-21-97-24-25-99-28-29-101-32-33-103-35-34-102-31-30-100-27-26-98-23-22-96-5/h9-12,15-16,36-37,42,51-53,62,95H,6-8,13-14,17-35,38-41H2,1-5H3,(H,74,84)(H,76,88)(H,77,85)(H,79,90)(H,80,94)(H,81,89)(H3,73,75,93)/t51-,52-,53-,62-,71-/m0/s1

InChIKey

DUVHBLDGNYMCIH-HWPPBYDQSA-N

Chemical Structure

2D Structure

CAS: 2879247-31-9

CID: 169494431

Formula: C71H94FN11O22

MW: 1472.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1472.6
XLogP3	-1.6
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	46
Exact Mass	1471.65589183
Monoisotopic Mass	1471.65589183
Topological Polar Surface Area	430 Å²
Heavy Atom Count	105
Formal Charge	0
Complexity	3060
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T11249-01	Exatecan
T87712-01	Decyclohexanamine-Exatecan
T77901-01	Ac-Exatecan
TQ0088-01	Exatecan Mesylate
T205760-01	Exatecan hydrochloride
T205546	Mal-Exatecan
T208344-01	Exatecan intermediate 8
T89644-01	Exatecan Intermediate 6
T88168-01	GGFG-PAB-Exatecan
T88134-01	(5-Cl) -Exatecan

Alternative Products

Catalog	Name
HY-160015-01	CB07-Exatecan
C03554-25mg	Exatecan
CS-O-47297	Exatecan Hydroxyacid
FE72401-01	Exatecan mesylate
HY-156617-01	Cyclopropaneacetamide-Exatecan
A11231-500	Exatecan 500mg
A11231-25	Exatecan 25mg
A11231-10	Exatecan 10mg
GTR19234516-01	Decyclohexanamine-Exatecan

CB07-Exatecan

Chemical Information

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