ATR-IN-30

CAT: 0931-T88133-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T88133-01Size:10 mg

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

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CAS Number

3010273-13-6

Target

ATM/ATR

Related Pathways

PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair

Bioactivity

ATR-IN-30 is a specific ATR ligand utilized in the creation of ATR PROTACs, including PROTAC ATR degrader-2.

Smiles

O=C(OC(C)(C)C)N1CCN(C(=O)C2=CC=C(C=C2)C3=NC(C(=O)NC=4C=CC=CC4)=C(N=C3)N)CC1

Molecular Formula

C27H30N6O4

Molecular Weight

502.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Atr-IN-30

CAS Number	3010273-13-6
PubChem CID	170555376
IUPAC Name	tert-butyl 4-[4-[5-amino-6-(phenylcarbamoyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate
Molecular Formula	C27H30N6O4
Molecular Weight	502.6
XLogP	2.9
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	795

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C27H30N6O4/c1-27(2,3)37-26(36)33-15-13-32(14-16-33)25(35)19-11-9-18(10-12-19)21-17-29-23(28)22(31-21)24(34)30-20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H2,28,29)(H,30,34)

InChIKey

QFBPYCJMZOALRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3010273-13-6

CID: 170555376

Formula: C27H30N6O4

MW: 502.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	502.6
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	502.23285346
Monoisotopic Mass	502.23285346
Topological Polar Surface Area	131 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	795
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
T9901A-1007-01	ATR-107
T63066-01	ATR-IN-13
T61432-01	ATR-IN-16
T62563-01	ATR-IN-12
T62035-01	ATR-IN-7
T79121-01	ATR-IN-29
T79031-01	ATR-IN-21
T63555-01	ATR-IN-6
T61808-01	ATR-IN-14
T62233-01	ATR-IN-10

Alternative Products

Catalog	Name
HY-161616	ATR-IN-30
552471	ATR
GTR18077849	ATR Antibody
BA3714-5	ATR-IN-4
HY-153462	ATR-IN-24
HY-144436	ATR-IN-12
HY-147565	ATR-IN-13
556021-01	ATR (FITC)
AF6906-BP	ATR Peptide
386283	ATR discontinued

ATR-IN-30

Chemical Information

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