CAS No.: 558447-26-0 — (S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (AMD-070)

1. Primary Information

English name:	(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CAS No.:	558447-26-0
Molecular formula:	C₂₁H₂₇N₅
Molecular weight:	349.5 g/mol
SMILES:	C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
Structural class:
Other identifiers:	AMD 070 AMD 11070 AMD-070 AMD-11070 AMD070

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	≥99%	800	-20℃	in stock	-
Kehua Intelligence	10mg	≥99%	1200	-20℃	in stock	-
Kehua Intelligence	25mg	≥99%	2080	-20℃	in stock	-
Kehua Intelligence	50mg	≥99%	3840	-20℃	in stock	-
Kehua Intelligence	100mg	≥99%	6400	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 53 56 0 1 0 0 0 0 0999 V2000 0.5890 -0.3565 0.1588 N 0 0 2 0 0 0 0 0 0 0 0 0 2.3519 1.3742 1.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 1.0896 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 0.7643 0.8209 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -6.5641 0.4784 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 -0.4233 -0.0940 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2687 -0.7529 -1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -0.6633 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 0.8362 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 0.7633 -1.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 1.3557 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -1.6103 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 0.7688 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -2.7791 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 2.5003 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 0.8703 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -4.1042 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 3.0713 1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 2.4733 1.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 -5.3185 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5906 1.1318 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 0.9260 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8415 1.3263 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 0.9101 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 1.3075 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7984 1.1032 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -1.1877 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7617 -0.0882 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -1.7760 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -1.3554 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 -0.9696 -2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 0.7644 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 1.4027 -2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.5919 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 -1.7996 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 0.7215 -1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 1.7275 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 -2.6192 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 -2.9142 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 2.9501 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -4.2485 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 -4.0441 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 3.9553 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 2.8743 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 1.2027 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 -5.3956 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -5.1878 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 1.4845 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 0.7522 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 -6.5176 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -7.3321 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 1.4548 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6774 1.0939 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 19 2 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 16 2 0 0 0 0 4 22 1 0 0 0 0 5 20 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 2 0 0 0 0 15 40 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine

4.2 InChI

InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1

4.3 InChIKey

WVLHHLRVNDMIAR-IBGZPJMESA-N

4.4 Canonical SMILES

C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3

4.5 Isomeric SMILES

C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)